SCHEMBL7964063

SCHEMBL7964063

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.40
AVPR1A P37288 4/20 0.40
AVPR1B P47901 4/20 0.40
MAP3K7 O43318 4/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PTK2 Q05397 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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 SCHEMBL7962145 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7968223 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7474313 0.89 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7965888 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7964976 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7338979 0.89 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7965268 0.89 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7975598 0.89 HDAC8 (0.44) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7346786 0.88 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7MEN1
SCHEMBL7339127 0.88 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMAP3K7MEN1

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