SCHEMBL7336994

SCHEMBL7336994

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)c(O)c2)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
AVPR1B P47901 3/20 0.37
WDR5 P61964 2/20 0.37
DRD2 P14416 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KCNMA1 Q12791 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7339388 0.95 AVPR2 (0.42) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7343339 0.93 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7345510 0.93 AVPR2 (0.40) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7335754 0.92 SIGMAR1 (0.40) SIGMAR1AVPR2AVPR1AWDR5DRD2
SCHEMBL7340232 0.92 AVPR2 (0.38) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7339422 0.92 AVPR2 (0.41) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7344270 0.91 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7338852 0.91 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7346725 0.91 AVPR2 (0.39) SIGMAR1AVPR2AVPR1AAVPR1BWDR5
SCHEMBL7778595 0.91 AVPR2 (0.42) SIGMAR1AVPR2AVPR1AAVPR1BDRD2

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed