SCHEMBL7479643

SCHEMBL7479643

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc(N)c1N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.41
AVPR1A P37288 4/20 0.41
AVPR1B P47901 4/20 0.41
MAP3K7 O43318 4/20 0.37
LPAR1 Q92633 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CBX7 O95931 1/20 0.35
HTR4 Q13639 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 SCHEMBL7969182 0.99 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7LPAR1
Hydrochloric Acid SCHEMBL7337572 0.94 AVPR2 (0.43) AVPR2AVPR1AAVPR1BMAP3K7LPAR1
SCHEMBL7478471 0.92 MAP3K7 (0.36) AVPR2AVPR1AAVPR1BMAP3K7LPAR1
SCHEMBL7966890 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7ALDH1A1
SCHEMBL7338979 0.91 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7MEN1
Hydrochloric Acid SCHEMBL7964351 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7ALDH1A1
Hydrochloric Acid SCHEMBL7346786 0.90 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7LPAR1
SCHEMBL7339127 0.90 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7LPAR1
SCHEMBL7336265 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7336166 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7

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