SCHEMBL6509996

SCHEMBL6509996

COc1cc2c(cc1S(=O)(=O)c1ccc(C(O)c3cccc4ccccc34)cc1)CCN(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.39
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GHSR Q92847 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AKR1C3 P42330 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6517302 0.87 DRD2 (0.42) HTR6DRD1DRD4DRD5DRD2
SCHEMBL6517175 0.81 KMT2A (0.43) HTR6DRD1DRD4DRD5DRD2
SCHEMBL6513803 0.77 DRD2 (0.38) HTR6DRD1DRD4DRD5DRD2
SCHEMBL6509180 0.76 DRD2 (0.41) HTR6DRD1DRD4DRD5DRD2
SCHEMBL3903162 0.73 MAOB (0.48) HTR6DRD1DRD4DRD5DRD2
SCHEMBL3892485 0.73 MAOA (0.47) HTR6DRD1DRD4DRD5DRD2
SCHEMBL3907828 0.73 MAOA (0.47) HTR6DRD1DRD4DRD5DRD2
SCHEMBL3894400 0.73 DRD1 (0.46) HTR6DRD1DRD4DRD5DRD2
SCHEMBL6502583 0.73 LMNA (0.48) HTR6DRD1DRD4DRD5DRD2
SCHEMBL3906201 0.73 DRD2 (0.44) HTR6DRD1DRD4DRD5DRD2

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