SCHEMBL5701302

SCHEMBL5701302

COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)CCN(C)C[CH]2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
REV1 Q9UBZ9 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PKM P14618 2/20 0.38
LMNA P02545 2/20 0.38
SRD5A1 P18405 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAOA P21397 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.37
MMP1 P03956 2/20 0.37
ADAM17 P78536 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL5701280 0.94 MMP1 (0.41) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL3896727 0.90 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL29377490 0.90 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL4889865 0.90 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
Hydrochloric Acid SCHEMBL3897702 0.89 DRD2 (0.49) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL3893974 0.89 DRD2 (0.49) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL4510111 0.83 REV1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL5471358 0.83 REV1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL5456117 0.83 MMP1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL4510120 0.83 REV1 (0.45) 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
EP-1687279-A1 7- [4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
WO-2005051916-A1 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed