SCHEMBL7962035

SCHEMBL7962035

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.37
AVPR1A P37288 5/20 0.37
AVPR1B P47901 4/20 0.37
MAP3K7 O43318 4/20 0.37
BRD4 O60885 1/20 0.35
PARP1 P09874 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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 SCHEMBL7964741 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7487329 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7954718 0.98 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7966658 0.97 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7972243 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7485435 0.95 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7966140 0.95 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7598670 0.95 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7954148 0.95 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7955263 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4

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