SCHEMBL7967020

SCHEMBL7967020

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 4/20 0.38
CPT1A P50416 2/20 0.36
CPT1B Q92523 2/20 0.36
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
CPT2 P23786 1/20 0.34
TP53 P04637 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
SCHEMBL7967019 0.93 CPT1A (0.34) AVPR2AVPR1AAVPR1BCPT1ACPT1B
SCHEMBL7971950 0.90 AVPR2 (0.41) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7969564 0.86 MAPK11 (0.37) AVPR2AVPR1AAVPR1BCPT1ACPT1B
SCHEMBL7339871 0.85 ALDH1A1 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7975518 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7964569 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1B
SCHEMBL7341082 0.83 PDE4A (0.41) AVPR2AVPR1AAVPR1B
SCHEMBL7973515 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1BTP53
SCHEMBL7953703 0.82 AVPR2 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7345034 0.82 AVPR2 (0.40) AVPR2AVPR1AAVPR1B

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