SCHEMBL7967359

SCHEMBL7967359

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1nc(C(=O)OC(C)(C)C)n2CN

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.35
AVPR1A P37288 4/20 0.35
AVPR1B P47901 4/20 0.35
MAP3K7 O43318 4/20 0.34
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PTK2 Q05397 2/20 0.32
JAK2 O60674 1/20 0.31
LCK P06239 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
SCHEMBL7966770 0.91 IRAK4 (0.34) IRAK4
SCHEMBL7969774 0.89 MAP3K7 (0.38) AVPR2AVPR1AMAP3K7JAK2LCK
SCHEMBL7970647 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7954456 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966116 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966800 0.86 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962075 0.86 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7964669 0.85 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7483860 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7955162 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7ABL1

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