SCHEMBL7962075

SCHEMBL7962075

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.39
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LCK P06239 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
Hydrochloric Acid SCHEMBL7954696 0.99 MAP3K7 (0.39) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
SCHEMBL7970647 0.93 MAP3K7 (0.38) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
SCHEMBL7966116 0.93 MAP3K7 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7966800 0.93 AVPR2 (0.38) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
Hydrochloric Acid SCHEMBL7954456 0.93 MAP3K7 (0.38) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
SCHEMBL7954336 0.93 AVPR2 (0.37) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
Hydrochloric Acid SCHEMBL7964669 0.92 MAP3K7 (0.38) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7483860 0.92 AVPR2 (0.37) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
Hydrochloric Acid SCHEMBL7972206 0.92 AVPR2 (0.36) MAP3K7AVPR2AVPR1AAVPR1BRAB9A
SCHEMBL7475627 0.91 AVPR2 (0.41) MAP3K7AVPR2AVPR1AAVPR1BRAB9A

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