SCHEMBL7966800

SCHEMBL7966800

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1nc(CN)n2C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.38
AVPR1A P37288 5/20 0.38
AVPR1B P47901 4/20 0.38
MAP3K7 O43318 4/20 0.36
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL7483860 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7962075 0.93 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7954696 0.92 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7483847 0.92 MAP3K7 (0.35) AVPR2AVPR1AAVPR1BMAP3K7LCK
SCHEMBL7966750 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7973715 0.90 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7955162 0.90 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7955163 0.89 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7475627 0.89 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7970647 0.89 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A

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