SCHEMBL7966841

SCHEMBL7966841

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
AVPR1B P47901 3/20 0.37
MAP3K7 O43318 4/20 0.37
ALK Q9UM73 1/20 0.34
PARP1 P09874 3/20 0.34
BRD4 O60885 1/20 0.34
IRAK4 Q9NWZ3 1/20 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 SCHEMBL7963851 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7ALK
SCHEMBL7480376 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7597564 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7481524 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7597526 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7954262 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7469078 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7967198 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7474294 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7473089 0.92 AVPR2 (0.38) 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 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