SCHEMBL9502874

SCHEMBL9502874

CC1=C(C(=O)O)C(c2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.58
NR3C2 P08235 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CACNA1F O60840 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51

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
SCHEMBL3022593 0.96 ADORA3 (0.59) CACNA1BNR3C2ADORA3CACNA1FCACNA1D
SCHEMBL7410687 0.84 CACNA1B (0.61) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL6951320 0.84 ADORA3 (0.76) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL9505249 0.82 ALDH1A1 (0.67) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL29173863 0.81 ADORA3 (0.82) CACNA1BADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL3016210 0.81 ABCC1 (0.68) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3024964 0.81 NR3C2 (0.51) NR3C2
SCHEMBL3027936 0.81 CACNA1F (0.56) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9504212 0.81 NR3C2 (0.47) CACNA1BNR3C2ADORA3CACNA1FCACNA1D
SCHEMBL10439079 0.81 NR3C2 (0.47) CACNA1BNR3C2ADORA3CACNA1FCACNA1D

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 5 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
EP-0383320-A1 A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-22 EP disclosed