SCHEMBL7969562

SCHEMBL7969562

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ADRA1D P25100 6/20 0.33
ADRA1A P35348 6/20 0.33
ADRA1B P35368 6/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
CPT2 P23786 2/20 0.32
CPT1A P50416 2/20 0.32
CPT1B Q92523 2/20 0.32
MAP3K7 O43318 2/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL7969564 0.93 MAPK11 (0.37) MAPK11MAPK14ADRA1DADRA1AADRA1B
SCHEMBL7967019 0.87 CPT1A (0.34) ADRA1DADRA1AADRA1BCPT2CPT1A
Hydrochloric Acid SCHEMBL7476852 0.84 MAPK11 (0.36) MAPK11MAPK14ADRA1DADRA1AADRA1B
SCHEMBL7475346 0.83 MAP3K7 (0.32) ADRA1DADRA1AADRA1BABL1SRC
SCHEMBL7474244 0.81 AVPR2 (0.33) ADRA1DADRA1AADRA1BMAP3K7
Hydrochloric Acid SCHEMBL7971911 0.80 MAP3K7 (0.35) ADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7955154 0.80 ADRA1D (0.32) ADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7478471 0.79 MAP3K7 (0.36) ADRA1DADRA1AADRA1BMAP3K7
Hydrochloric Acid SCHEMBL7954117 0.79 MAP3K7 (0.33) ADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7972157 0.79 MAP3K7 (0.32) ADRA1DADRA1AADRA1BMAP3K7

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