SCHEMBL7749370

SCHEMBL7749370

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3OCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
PTGER1 P34995 7/20 0.48
LRRK2 Q5S007 1/20 0.45
GAA P10253 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43

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
SCHEMBL7375995 0.93 CYP19A1 (0.51) CYP19A1LRRK2GAASGMS2
SCHEMBL7512593 0.91 CYP19A1 (0.45) CYP19A1PTGER1LRRK2AVPR2AVPR1A
SCHEMBL7376652 0.90 PTGER1 (0.46) CYP19A1PTGER1
SCHEMBL7371809 0.90 PTGER1 (0.46) CYP19A1PTGER1
SCHEMBL7370837 0.90 MTTP (0.48) CYP19A1PTGER1LRRK2AVPR2
SCHEMBL7375499 0.89 MTTP (0.47) CYP19A1PTGER1AVPR2
SCHEMBL7378156 0.88 LRRK2 (0.48) CYP19A1PTGER1LRRK2GAASGMS2
SCHEMBL7371570 0.87 MEN1 (0.46) AVPR2AVPR1A
SCHEMBL7374553 0.85 MEN1 (0.48) CYP19A1
SCHEMBL7376600 0.85 RXRA (0.48) CYP19A1PTGER1GAASGMS2

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
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