SCHEMBL7474313

SCHEMBL7474313

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2ccn(COC(=O)C(C)(C)C)c12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.36
AVPR1A P37288 5/20 0.36
AVPR1B P47901 4/20 0.36
MAP3K7 O43318 4/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PTK2 Q05397 2/20 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
SCHEMBL7972157 0.93 MAP3K7 (0.32) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7964063 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7962145 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7338979 0.84 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7975598 0.83 HDAC8 (0.44) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7346786 0.83 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7339127 0.83 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7474307 0.83 AVPR2 (0.32) AVPR2AVPR1A
SCHEMBL7964976 0.83 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7955818 0.83 HDAC8 (0.44) 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 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