SCHEMBL1545461

SCHEMBL1545461

Fc1ccc2c(C3CCN(CCCOc4ccccc4)CC3)noc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.76
DRD2 P14416 10/20 0.76
HTR2A P28223 10/20 0.76
HRH3 Q9Y5N1 8/20 0.76
KCNH2 Q12809 7/20 0.75
HTR2C P28335 4/20 0.75
ADRA1A P35348 4/20 0.75
HRH1 P35367 4/20 0.75
HTR6 P50406 4/20 0.75
DRD3 P35462 3/20 0.75
ADRA2A P08913 1/20 0.71
ADRA1D P25100 1/20 0.71
ADRA1B P35368 1/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1545073 0.89 HTR1A (0.68) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL5995122 0.88 HTR1A (0.67) HTR1ADRD2HTR2AHRH3
Anisole SCHEMBL3645349 0.88 DRD2 (0.63) HTR1ADRD2HTR2AKCNH2HTR2C
SCHEMBL7355139 0.88 ACHE (0.68) HTR1ADRD2HTR2AHRH3KCNH2
Hydrochloric Acid SCHEMBL1545933 0.87 HTR1A (0.66) HTR1ADRD2HTR2AHRH3
SCHEMBL28774559 0.87 HTR2A (0.80) HTR1ADRD2HTR2AHRH3KCNH2
Alcohol SCHEMBL8713382 0.87 HTR1A (0.69) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL28774561 0.87 HTR1A (1.00) HTR1ADRD2HTR2AHRH3KCNH2
Methane SCHEMBL7348385 0.86 HTR1A (0.65) HTR1ADRD2HTR2AHRH3KCNH2
SCHEMBL28774558 0.86 HTR1A (1.00) HTR1ADRD2HTR2AHRH3KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39198-E1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics AVENTIS PHARMACEUTICALS INC. (US) 2006-07-18 US claimed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US claimed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP claimed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP claimed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO claimed
EP-2311824-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics Aventis Pharmaceuticals Inc. (US) 2011-04-20 EP disclosed
US-RE39265-E1 Heteroarylpiperidines, and their use as antipsychotics and analgetics AVENTIS PHARMACEUTICALS INC. (US) 2006-09-05 US disclosed
US-RE39198-E1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics AVENTIS PHARMACEUTICALS INC. (US) 2006-07-18 US disclosed
US-6420390-B1 ANALGESIC AGENTS AVENTIS PHARMACEUTICALS INC. 2002-07-16 US disclosed
US-RE37729-E1 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility AVENTIS PHARMACEUTICALS INC. 2002-06-04 US disclosed
US-RE37478-E1 COMPOUNDS WITH HETEROCYCLIC AMINO COMPOUNDS AVENTIS PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-1110954-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics Aventis Pharmaceuticals Inc. (US) 2001-06-27 EP disclosed
US-5550130-A ANTIPSYCHOTIC AGENTS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0402644-B1 N-(aryloxyalkyl)heteroarylpiperidines and -heteroarylpiperazines,a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP disclosed
WO-1995011680-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-05-04 WO disclosed
US-5364866-A Side effect reduction HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1994-11-15 US disclosed
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP disclosed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP disclosed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO disclosed
EP-0402644-A1 N-(aryloxyalkyl)heteroarylpiperidines and -heteroarylpiperazines,a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-12-19 EP disclosed