SCHEMBL7778595

SCHEMBL7778595

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.42
AVPR1A P37288 5/20 0.42
AVPR1B P47901 4/20 0.42
SIGMAR1 Q99720 1/20 0.36
MAP3K7 O43318 2/20 0.36
DRD2 P14416 5/20 0.35
POLB P06746 1/20 0.35
SUV39H2 Q9H5I1 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
SCHEMBL7343339 0.98 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1MAP3K7
SCHEMBL7339388 0.95 AVPR2 (0.42) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7342198 0.93 RXFP1 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7345510 0.92 AVPR2 (0.40) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7338852 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7340232 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7339422 0.91 AVPR2 (0.41) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7340542 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7338448 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BSIGMAR1DRD2
SCHEMBL7338552 0.91 AVPR2 (0.36) AVPR2AVPR1AAVPR1BSIGMAR1DRD2

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
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