SCHEMBL7598670

SCHEMBL7598670

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
MAP3K7 O43318 4/20 0.37
BRD4 O60885 1/20 0.34
PARP1 P09874 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
Hydrochloric Acid SCHEMBL7955263 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7954148 0.95 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7483216 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7953866 0.95 PTGES (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7596841 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7479606 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7962035 0.95 AVPR2 (0.37) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7966665 0.95 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7963173 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7967333 0.94 AVPR2 (0.37) AVPR2AVPR1AAVPR1BIRAK4MAP3K7

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 4 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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed