SCHEMBL7964976

SCHEMBL7964976

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2ncn(C)c12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
MAP3K7 O43318 4/20 0.37
FLT3 P36888 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 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 SCHEMBL7965268 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7FLT3
SCHEMBL7962150 0.92 MAP3K7 (0.36) AVPR2AVPR1AAVPR1BMAP3K7FLT3
Hydrochloric Acid SCHEMBL7965272 0.91 MAP3K7 (0.36) AVPR2AVPR1AAVPR1BMAP3K7FLT3
SCHEMBL7969301 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7964063 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7962145 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7955172 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966750 0.88 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7338979 0.88 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7967921 0.88 AVPR2 (0.40) 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