SCHEMBL6532371

SCHEMBL6532371

CN1CCc2cc(S(=O)(=O)Cl)ccc2C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
DRD2 P14416 8/20 0.39
DRD3 P35462 8/20 0.39
HTR6 P50406 8/20 0.39
HTR2C P28335 7/20 0.39
HTR2A P28223 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL12677449 0.83 DRD2 (0.47) CYP2D6DRD2DRD3HTR6HTR2C
SCHEMBL30471166 0.79 GRM5 (0.51)
SCHEMBL25252571 0.79 GRM5 (0.51)
SCHEMBL8318207 0.78 CASP1 (0.52) CYP1A2MAOAMAOB
SCHEMBL30471246 0.76 GRM5 (0.39) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL25213922 0.76 GRM5 (0.39) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL26608676 0.72 MAOA (0.62) DRD2DRD3HTR2CHTR2AMAOA
SCHEMBL25690759 0.72 HTR6 (0.44) DRD2DRD3HTR6HTR2CHTR2A
SCHEMBL38660212 0.71 POLB (0.43) CYP2D6DRD3HTR6CYP3A4CYP1A2
SCHEMBL3200431 0.71 POLB (0.43) CYP2D6DRD3HTR6CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016891-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-24 WO disclosed