SCHEMBL7966878

SCHEMBL7966878

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1c(O[SiH](c2ccccc2)c2ccccc2)ccc2c1c(C(C)(C)C)c(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
AVPR1B P47901 3/20 0.33
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL7973552 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7967297 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7966876 0.80 AVPR2 (0.36) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973515 0.80 AVPR2 (0.37) AVPR2AVPR1AAVPR1B
SCHEMBL7969564 0.78 MAPK11 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973561 0.78 AVPR2 (0.38) AVPR2AVPR1AAVPR1B
SCHEMBL7967020 0.77 AVPR2 (0.38) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7341082 0.77 PDE4A (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7342320 0.77 AVPR2 (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7964892 0.77 AVPR2 (0.35) AVPR2AVPR1AAVPR1B

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