SCHEMBL7345510

SCHEMBL7345510

CCCOc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.40
AVPR1A P37288 5/20 0.40
AVPR1B P47901 4/20 0.40
SIGMAR1 Q99720 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
WDR5 P61964 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.34
STING1 Q86WV6 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 0.98 AVPR2 (0.42) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7343339 0.95 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7343579 0.94 AVPR2 (0.40) AVPR2AVPR1AAVPR1BSIGMAR1MEN1
SCHEMBL7339422 0.94 AVPR2 (0.41) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7336917 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7346725 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7344270 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7338852 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5
SCHEMBL7346520 0.94 SIGMAR1 (0.41) AVPR2AVPR1AAVPR1BSIGMAR1RXFP1
SCHEMBL7345583 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BSIGMAR1WDR5

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