SCHEMBL7967753

SCHEMBL7967753

CCOc1nc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.38
AVPR1A P37288 5/20 0.38
AVPR1B P47901 4/20 0.38
MAP3K7 O43318 4/20 0.37
LRRK2 Q5S007 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7962163 0.96 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7473089 0.96 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7954262 0.95 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7967198 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7965635 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7954148 0.93 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7474294 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7966665 0.92 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7964009 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7484507 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