SCHEMBL7970595

SCHEMBL7970595

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
AVPR1B P47901 4/20 0.37
MAP3K7 O43318 4/20 0.35
PTK2 Q05397 1/20 0.33
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 3/20 0.33
CDK12 Q9NYV4 2/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HTR4 Q13639 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 SCHEMBL7963816 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
SCHEMBL7965132 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7967309 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
SCHEMBL7967392 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7482515 0.93 MAP3K7 (0.34) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7970213 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7964336 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
SCHEMBL7975553 0.92 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7969903 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PARP1
SCHEMBL7964800 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PARP1

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