SCHEMBL7419797

SCHEMBL7419797

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1CC(C(N)=O)N2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 4/20 0.38
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MAP3K7 O43318 4/20 0.35
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CBX7 O95931 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
Hydrochloric Acid SCHEMBL7962173 0.99 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2DRD3
SCHEMBL7962662 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2DRD3
Hydrochloric Acid SCHEMBL7954106 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2DRD3
Hydrochloric Acid SCHEMBL7967410 0.92 DRD2 (0.35) AVPR2AVPR1AAVPR1BDRD2DRD3
SCHEMBL7966199 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ADRA1D
Hydrochloric Acid SCHEMBL7954290 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ADRA1D
SCHEMBL7972286 0.88 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7ABCB1
Hydrochloric Acid SCHEMBL7967237 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7ADRA1D
Hydrochloric Acid SCHEMBL7427358 0.87 ADRA1D (0.32) AVPR2AVPR1AAVPR1BDRD2DRD3
SCHEMBL7479643 0.86 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7CBX7

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