SCHEMBL7964896

SCHEMBL7964896

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.43
PPARD Q03181 9/20 0.43
PPARA Q07869 8/20 0.43
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
AVPR1B P47901 2/20 0.37
HTR6 P50406 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7598797 0.93 PPARG (0.40) PPARGPPARDPPARAHTR6MEN1
SCHEMBL7968223 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7965888 0.90 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7954943 0.88 AVPR2 (0.38) AVPR2AVPR1AAVPR1B
SCHEMBL7962073 0.88 AVPR2 (0.38) AVPR2AVPR1AAVPR1BKMT2A
Hydrochloric Acid SCHEMBL7968882 0.88 AVPR2 (0.38) AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7482474 0.87 AVPR2 (0.38) AVPR2AVPR1AAVPR1BKMT2A
SCHEMBL7338979 0.85 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7339127 0.84 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7346786 0.84 AVPR2 (0.44) AVPR2AVPR1AAVPR1BMEN1KMT2A

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