SCHEMBL7966876

SCHEMBL7966876

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1c(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.36
AVPR1A P37288 6/20 0.36
AVPR1B P47901 5/20 0.36
MAP3K7 O43318 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7967301 0.88 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7966867 0.87 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7973515 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7973561 0.84 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7478370 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7973552 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1ADRA1D
SCHEMBL7967297 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1ADRA1D
SCHEMBL7966310 0.82 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7964892 0.82 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
Hydrochloric Acid SCHEMBL7346786 0.82 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7MEN1

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed