SCHEMBL7967400

SCHEMBL7967400

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1ncn2NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.39
AVPR1A P37288 6/20 0.39
AVPR1B P47901 5/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP3K7 O43318 4/20 0.35
GAA P10253 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 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 SCHEMBL7970223 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7967392 0.86 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7970213 0.86 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7962075 0.85 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7954696 0.85 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7478370 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7969301 0.84 AVPR2 (0.40) AVPR2AVPR1AAVPR1BMAP3K7ADRA1D
SCHEMBL7975598 0.84 HDAC8 (0.44) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7345366 0.84 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAAADRA1D
SCHEMBL7970647 0.84 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7GAA

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 1 patent. 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