SCHEMBL7975475

SCHEMBL7975475

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.42
AVPR1A P37288 8/20 0.42
AVPR1B P47901 7/20 0.42
MAP3K7 O43318 4/20 0.36
DHODH Q02127 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PARP1 P09874 1/20 0.35

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
Hydrochloric Acid SCHEMBL7954185 0.95 RAD52 (0.39) AVPR2AVPR1AAVPR1BMAP3K7DHODH
Hydrochloric Acid SCHEMBL7966461 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7DHODH
SCHEMBL7954262 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7954405 0.92 AVPR2 (0.47) AVPR2AVPR1AAVPR1BMAP3K7DHODH
Hydrochloric Acid SCHEMBL7966627 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7DHODH
Hydrochloric Acid SCHEMBL7967198 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7474294 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7473089 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7963698 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7964009 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed