SCHEMBL6513803

SCHEMBL6513803

COc1cc2c(cc1S(=O)(=O)c1ccc(C(O)c3ccc(C)c(F)c3)cc1)CCN(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 7/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A4 P31645 1/20 0.36
PKM P14618 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 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
SCHEMBL6517175 0.89 KMT2A (0.43) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6249081 0.82 DRD2 (0.39) DRD2HTR2AHTR2CDRD3HTR6
Hydrochloric Acid SCHEMBL6246292 0.81 DRD2 (0.38) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3903162 0.80 MAOB (0.48) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6247444 0.79 ALDH1A1 (0.39) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6510522 0.79 KMT2A (0.41) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6517302 0.78 DRD2 (0.42) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6509180 0.78 DRD2 (0.41) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6509996 0.77 HTR6 (0.39) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3907828 0.75 MAOA (0.47) DRD2HTR2AHTR2CDRD3HTR6

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