SCHEMBL9501356

SCHEMBL9501356

CCOC(=O)C1=C(CCl)NC(C)=C(C#N)C1c1cccc2nonc12

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.54

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
SCHEMBL9502937 0.85 CYP2C9 (0.65)
SCHEMBL9505369 0.84 MAPT (0.65)
SCHEMBL10913481 0.81 CACNA1C (0.58) NR3C2
SCHEMBL10912838 0.79 CYP2C9 (0.59)
SCHEMBL7433602 0.79 CYP2C9 (0.59)
SCHEMBL9502266 0.79 MGAM (0.54) NR3C2
Darodipine SCHEMBL44696 0.79 CYP2C9 (0.69)
SCHEMBL9505372 0.77 CYP2C9 (0.61)
SCHEMBL9501234 0.75 CYP2C9 (0.82) NR3C2
SCHEMBL7343428 0.75 CYP2C9 (0.77)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US disclosed
EP-0458823-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. BOEHRINGER MANNHEIM ITALIA (IT) 1991-12-04 EP disclosed
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 WO disclosed