SCHEMBL7969502

SCHEMBL7969502

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2nc(CNC(=O)OC(C)(C)C)n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.35
AVPR1A P37288 3/20 0.35
AVPR1B P47901 3/20 0.35
MAP3K7 O43318 4/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
STING1 Q86WV6 1/20 0.33
JAK2 O60674 1/20 0.32
P2RY12 Q9H244 1/20 0.32
IGF1R P08069 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32

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
SCHEMBL7955162 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7ABL1
SCHEMBL7966750 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7973715 0.89 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7969505 0.88 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7967361 0.86 BRD4 (0.36) AVPR2AVPR1AAVPR1BMAP3K7ABL1
SCHEMBL7343339 0.86 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7SUV39H2
SCHEMBL7964976 0.84 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7961971 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7ABL1
Hydrochloric Acid SCHEMBL7965268 0.84 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7778595 0.84 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7SUV39H2

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