SCHEMBL9502266

SCHEMBL9502266

CCOC(=O)C1=C(CCl)NC(C)=C(C#N)C1c1cccc2c1OCCO2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
AMY1A P0DUB6 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
NR3C2 P08235 1/20 0.47

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 SCHEMBL9503007 0.86 MGAM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL9518606 0.85 GAA (0.64) MGAMAMY1AGAASIMGAM2
SCHEMBL9505234 0.83 GAA (0.61) MGAMAMY1AGAASIMGAM2
SCHEMBL9501356 0.79 NR3C2 (0.54) NR3C2
SCHEMBL9504261 0.74 MGAM (0.66) MGAMAMY1AGAASIMGAM2
SCHEMBL7467561 0.72 CACNA1F (0.64)
SCHEMBL8258493 0.70 MAPK1 (0.53) NR3C2
SCHEMBL10894470 0.70 CACNA1C (0.62) GAANR3C2
SCHEMBL10364560 0.69
SCHEMBL13587735 0.69 NR3C2 (0.60) NR3C2

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 3 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
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