SCHEMBL7374169

SCHEMBL7374169

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCNC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.44
AVPR1A P37288 8/20 0.44
AVPR1B P47901 8/20 0.44
MTTP P55157 5/20 0.41
MAP3K7 O43318 1/20 0.39

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
SCHEMBL7374590 0.95 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMTTPMAP3K7
SCHEMBL7374548 0.89 AVPR2 (0.51) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7371827 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7338910 0.87 NAMPT (0.41) MAP3K7
Hydrochloric Acid SCHEMBL7780742 0.87 NAMPT (0.40) MAP3K7
SCHEMBL7342154 0.86 NAMPT (0.38) MAP3K7
Hydrochloric Acid SCHEMBL7368868 0.85 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL7369177 0.85 AVPR2 (0.50) AVPR2AVPR1AAVPR1BMTTPMAP3K7
SCHEMBL7375729 0.85 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7743965 0.85 AVPR2 (0.52) AVPR2AVPR1AAVPR1BMTTP

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed