SCHEMBL6510522

SCHEMBL6510522

COc1cc2c(cc1S(=O)(=O)c1ccc(C(OC)c3ccc(F)cc3)cc1)CCN(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAOB P27338 3/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
MAOA P21397 2/20 0.39
SLC6A4 P31645 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3903162 0.91 MAOB (0.48) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL6517175 0.89 KMT2A (0.43) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL3895372 0.87 KMT2A (0.48) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL6509242 0.84 MAOB (0.54) KMT2AMAOBHTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL6504357 0.83 MAOB (0.53) KMT2AMAOBHTR2AHTR2CHTR6
SCHEMBL3893442 0.81 HTR6 (0.49) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL3892441 0.80 MAOB (0.43) KMT2AMAOBHTR2AHTR2CHTR6
SCHEMBL3898390 0.79 KMT2A (0.43) KMT2ADRD2HTR2AHTR2CDRD3
SCHEMBL3907828 0.79 MAOA (0.47) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL3892485 0.79 MAOA (0.47) MAOBDRD2HTR2AHTR2CDRD3

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