SCHEMBL7478370

SCHEMBL7478370

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1ncn2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.37
AVPR1A P37288 7/20 0.37
AVPR1B P47901 6/20 0.37
MAP3K7 O43318 4/20 0.33
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL7978216 0.94 AVPR2 (0.34) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7478365 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7PTK2
Hydrochloric Acid SCHEMBL7970223 0.85 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7967301 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7966867 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7967400 0.84 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7346786 0.84 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7954696 0.84 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7966876 0.83 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7962075 0.83 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A

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 3 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
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