SCHEMBL7971950

SCHEMBL7971950

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.41
AVPR1A P37288 8/20 0.41
AVPR1B P47901 7/20 0.41
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
MAP3K7 O43318 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
SCHEMBL7967020 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7953703 0.90 AVPR2 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7955157 0.88 AVPR2 (0.36) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973515 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7474378 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7341082 0.85 PDE4A (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7966310 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7338979 0.85 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7972286 0.85 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7343339 0.84 AVPR2 (0.39) 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