SCHEMBL7370837

SCHEMBL7370837

COc1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)ccc1C(=O)N(C)c1ccc(Cl)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.48
CYP19A1 P11511 5/20 0.46
HTT P42858 1/20 0.44
LRRK2 Q5S007 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTGER1 P34995 2/20 0.41
NPC1 O15118 1/20 0.41
AHR P35869 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41

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
SCHEMBL7512593 0.92 CYP19A1 (0.45) MTTPCYP19A1HTTLRRK2MAPT
SCHEMBL7749370 0.90 CYP19A1 (0.49) CYP19A1LRRK2PTGER1AVPR2
SCHEMBL7372395 0.88 MTTP (0.43) MTTPHTTPOLBNPC1AHR
SCHEMBL7367409 0.87 HTT (0.47) MTTPHTTPOLBMAPTNPC1
SCHEMBL7375499 0.87 MTTP (0.47) MTTPCYP19A1POLBMAPTPTGER1
SCHEMBL7376314 0.85 MTTP (0.42) MTTPHTTPOLBMAPTNPC1
SCHEMBL8816546 0.84 CYP19A1 (0.45) CYP19A1HTTLRRK2MAPTPTGER1
SCHEMBL7376652 0.84 PTGER1 (0.46) MTTPCYP19A1HTTMAPTPTGER1
SCHEMBL7371809 0.84 PTGER1 (0.46) CYP19A1HTTMAPTPTGER1NPC1
SCHEMBL7375995 0.83 CYP19A1 (0.51) CYP19A1LRRK2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed