SCHEMBL7964705

SCHEMBL7964705

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1nc(C(C)(C)C)n2CO[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.36
AVPR1A P37288 6/20 0.36
AVPR1B P47901 5/20 0.36
MAP3K7 O43318 4/20 0.33
PTK2 Q05397 2/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7978213 0.94 AVPR2 (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7478357 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
SCHEMBL7970647 0.85 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966116 0.85 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7954456 0.85 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962075 0.84 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7964669 0.84 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7954696 0.84 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7967297 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973552 0.83 AVPR2 (0.35) AVPR2AVPR1AAVPR1BADRA1DADRA1A

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