SCHEMBL7962073

SCHEMBL7962073

CCOC(=O)n1ccc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 4/20 0.38
MAP3K7 O43318 4/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
KMT2A Q03164 1/20 0.33

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 SCHEMBL7482474 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7968223 0.92 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7965888 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7954943 0.90 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
Hydrochloric Acid SCHEMBL7968882 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7964896 0.88 PPARG (0.43) AVPR2AVPR1AAVPR1BKMT2A
SCHEMBL7570557 0.86 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7338979 0.86 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962075 0.86 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7RAB9A
SCHEMBL7964892 0.86 AVPR2 (0.35) 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 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