SCHEMBL7967392

SCHEMBL7967392

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(NS(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.39
AVPR1A P37288 7/20 0.39
AVPR1B P47901 6/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP3K7 O43318 4/20 0.34
THRB P10828 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 SCHEMBL7970213 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7965132 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7480510 0.93 MEN1 (0.35) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7967309 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7970595 0.93 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7963816 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7969903 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7975553 0.91 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7964800 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7484228 0.90 AVPR2 (0.38) 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 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