SCHEMBL7512593

SCHEMBL7512593

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3OCc3ccccc3)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
MTTP P55157 1/20 0.44
LRRK2 Q5S007 3/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
PTGER1 P34995 4/20 0.42
C5AR1 P21730 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA3 P22001 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7370837 0.92 MTTP (0.48) CYP19A1MTTPLRRK2AVPR2PTGER1
SCHEMBL8816546 0.92 CYP19A1 (0.45) CYP19A1LRRK2PTGER1MEN1KMT2A
SCHEMBL7749370 0.91 CYP19A1 (0.49) CYP19A1LRRK2AVPR2AVPR1APTGER1
SCHEMBL7370671 0.88 GCGR (0.41) MTTPAVPR2AVPR1AMEN1KMT2A
SCHEMBL7371809 0.87 PTGER1 (0.46) CYP19A1PTGER1KCNA3L3MBTL1TP53
SCHEMBL7376652 0.85 PTGER1 (0.46) CYP19A1MTTPPTGER1KCNA3L3MBTL1
SCHEMBL7377166 0.85 AVPR2 (0.48) AVPR2AVPR1AMEN1KMT2AL3MBTL1
SCHEMBL7374161 0.84 AVPR2 (0.40) MTTPAVPR2AVPR1AMEN1KMT2A
SCHEMBL7375995 0.84 CYP19A1 (0.51) CYP19A1LRRK2MEN1KMT2AL3MBTL1
SCHEMBL7375499 0.84 MTTP (0.47) CYP19A1MTTPAVPR2PTGER1MEN1

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