SCHEMBL7954262

SCHEMBL7954262

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(C)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
MAP3K7 O43318 4/20 0.38
IRAK4 Q9NWZ3 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
Hydrochloric Acid SCHEMBL7967198 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7473089 0.96 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7967753 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7474294 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962259 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7484507 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7597526 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7964009 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7966323 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962163 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4

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 1 patent. 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