SCHEMBL7269131

SCHEMBL7269131

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.54
CACNA1D Q01668 9/20 0.54
CACNA1S Q13698 9/20 0.54
CACNA1C Q13936 9/20 0.54
ADORA3 P0DMS8 2/20 0.54
HIF1A Q16665 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 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
SCHEMBL30357940 1.00 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275109 0.96 ADORA3 (0.59) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7277695 0.91 CACNA1C (0.48) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8928277 0.91 CACNA1C (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10475638 0.89 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7268117 0.85 IDO1 (0.47) CYP3A4
SCHEMBL10475641 0.85 ADORA3 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL8781999 0.82 IDO1 (0.43) CYP3A4
SCHEMBL8782178 0.81 CACNA1B (0.42)
SCHEMBL10374451 0.81 CACNA1B (0.42) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514693-A THROMBOXANE A2 SYNTHETASE INHIBITOR, CALCIUM ANTAGONIST FARMITALIA CARLO ERBA S.R.L. (IT) 1996-05-07 US claimed
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP claimed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP claimed
WO-1990006923-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-06-28 WO claimed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP claimed
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP disclosed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP disclosed
WO-1990006923-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-06-28 WO disclosed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP disclosed