SCHEMBL7955162

SCHEMBL7955162

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.35
AVPR1A P37288 4/20 0.35
AVPR1B P47901 3/20 0.35
MAP3K7 O43318 4/20 0.34
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PTK2 Q05397 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
SCHEMBL7969502 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7ABL1
SCHEMBL7966800 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7USP2
Hydrochloric Acid SCHEMBL7483860 0.89 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7USP2
SCHEMBL7962075 0.89 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7955163 0.88 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7967361 0.88 BRD4 (0.36) AVPR2AVPR1AAVPR1BMAP3K7ABL1
Hydrochloric Acid SCHEMBL7954696 0.88 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7961971 0.86 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7ABL1
SCHEMBL7343339 0.86 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7SUV39H2
SCHEMBL7967359 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7ABL1

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