SCHEMBL7474378

SCHEMBL7474378

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1CC(COCc1ccccc1)N2C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.37
AVPR1A P37288 6/20 0.37
AVPR1B P47901 5/20 0.37
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 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
SCHEMBL7963072 0.93 ADRA1D (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7953703 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7474383 0.89 ADRA1D (0.34) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7955157 0.87 AVPR2 (0.36) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7971950 0.86 AVPR2 (0.41) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7474389 0.85 AVPR2 (0.33) AVPR2AVPR1ATSHRTLR9TLR7
SCHEMBL7474244 0.85 AVPR2 (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7342173 0.83 AVPR2 (0.43) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7338105 0.83 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7342320 0.82 AVPR2 (0.41) 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 4 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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed