SCHEMBL7989840

SCHEMBL7989840

CC1SCC(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
DRD2 P14416 4/20 0.55
HTR2A P28223 2/20 0.55
ALDH1A1 P00352 2/20 0.50
DRD4 P21917 1/20 0.50
SLC22A2 O15244 1/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ADRA2C P18825 1/20 0.50
CNR1 P21554 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50

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
Maleic Acid SCHEMBL9298740 0.92 DRD2 (0.47) HTR1ADRD2HTR2AALDH1A1DRD4
Fumaric Acid SCHEMBL9298747 0.92 DRD2 (0.47) HTR1ADRD2HTR2AALDH1A1DRD4
SCHEMBL7979085 0.77 HTR1A (0.51) HTR1ADRD2HTR2ADRD4HTR7
SCHEMBL7993416 0.77 HTR1A (0.54) HTR1ADRD2HTR2AALDH1A1DRD4
SCHEMBL7993346 0.77 KCNH2 (0.63) HTR1ADRD2HTR2AHTR7KCNH2
Hydrochloric Acid SCHEMBL7978759 0.76 HTR1A (0.50) HTR1ADRD2HTR2ADRD4HTR7
SCHEMBL7979105 0.76 HTR7 (0.64) HTR1ADRD2ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7991007 0.76 KCNH2 (0.62) HTR1ADRD2HTR2AHTR7KCNH2
SCHEMBL7254585 0.75 ACHE (0.59) HTR1ADRD2HTR2AALDH1A1DRD4
SCHEMBL7254170 0.75 ACHE (0.59) HTR1ADRD2DRD4DRD3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US claimed
US-6284775-B1 PSYCHOLOGICAL DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-09-04 US disclosed
US-5371087-A Antipsychotic, analgesics, anticonvulsant and anxiolytic agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
US-5229388-A 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-20 US disclosed
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
US-5136037-A 3-(4-substituted-4-piperazinyl)butyl-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-08-04 US disclosed
US-5037984-A Anticonvulsants; anxiolytic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-06 US disclosed
US-4933453-A ANTIPSYCHOTIC, ANALGESIC, ANTICONVULSANT, AND ANXIOLYTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-06-12 US disclosed
EP-0316723-A1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-05-24 EP disclosed