SCHEMBL7953703

SCHEMBL7953703

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1CC(CO)N2C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.39
AVPR1A P37288 7/20 0.39
AVPR1B P47901 6/20 0.39
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
MAP3K7 O43318 3/20 0.33

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
SCHEMBL7474244 0.93 AVPR2 (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7474378 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7955157 0.91 AVPR2 (0.36) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7971950 0.90 AVPR2 (0.41) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7963072 0.85 ADRA1D (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973515 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7966310 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7966199 0.84 AVPR2 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7955154 0.84 ADRA1D (0.32) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7474246 0.84 AVPR2 (0.33) AVPR2AVPR1A

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