SCHEMBL7996802

SCHEMBL7996802

CC1CC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.73
DRD4 P21917 2/20 0.73
ADRA1A P35348 2/20 0.47
MAPT P10636 2/20 0.43
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
Fumaric Acid SCHEMBL9667386 0.94 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL9667377 0.94 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL7679404 0.81 DRD4 (1.00) HTR2ADRD4ADRA1AMAPT
SCHEMBL7993422 0.81 HTR2A (0.74) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL7979544 0.79 DRD4 (0.88) HTR2ADRD4ADRA1AMAPT
Fumaric Acid SCHEMBL7979548 0.79 DRD4 (0.88) HTR2ADRD4ADRA1AMAPT
Fumaric Acid SCHEMBL7993860 0.76 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
Maleic Acid SCHEMBL7993854 0.76 HTR2A (0.66) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL9297541 0.75 HTR2A (0.61) HTR2ADRD4ADRA1AMAPTHTR1A
SCHEMBL7993408 0.75 HTR2A (0.65) HTR2ADRD4ADRA1AMAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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