SCHEMBL7970925

SCHEMBL7970925

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(N3CCN(C)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 3/20 0.38
MAP3K7 O43318 4/20 0.37
PTGES O14684 1/20 0.36
PARP1 P09874 3/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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 SCHEMBL7962267 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTGES
SCHEMBL7481271 0.96 IRAK4 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTGES
Hydrochloric Acid SCHEMBL7962151 0.95 IRAK4 (0.36) AVPR2AVPR1AAVPR1BMAP3K7PTGES
SCHEMBL7481243 0.95 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7PTGES
Hydrochloric Acid SCHEMBL7961884 0.95 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7PTGES
Hydrochloric Acid SCHEMBL7954931 0.94 IRAK4 (0.35) AVPR2AVPR1AAVPR1BMAP3K7PTGES
SCHEMBL7954262 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7965069 0.93 LMNA (0.36) AVPR2AVPR1AAVPR1BMAP3K7PTGES
Hydrochloric Acid SCHEMBL7967198 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7473089 0.93 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