SCHEMBL7367751

SCHEMBL7367751

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCCNC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.40
AVPR1A P37288 3/20 0.38
AVPR1B P47901 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3A P46098 1/20 0.38
RECQL P46063 1/20 0.38
NAMPT P43490 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
SCHEMBL7374551 0.99 AVPR2 (0.40) AVPR2AVPR1AAVPR1BKDM4EALDH1A1
SCHEMBL7375729 0.98 AVPR2 (0.41) AVPR2AVPR1AAVPR1BKDM4EALDH1A1
SCHEMBL7373631 0.91 NAMPT (0.43) AVPR2AVPR1AAVPR1BKDM4EALDH1A1
SCHEMBL7372097 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7375946 0.90 NPSR1 (0.42) AVPR2AVPR1AAVPR1BALDH1A1RECQL
SCHEMBL7751053 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7372942 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7370995 0.89 AVPR2 (0.48) AVPR2AVPR1AAVPR1B
SCHEMBL7376990 0.89 KDM4E (0.49) AVPR2AVPR1AAVPR1BKDM4EALDH1A1
SCHEMBL7371827 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BALDH1A1

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