SCHEMBL8915069

SCHEMBL8915069

CC(=O)CC(=O)O[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.57
MAOB P27338 2/20 0.57
SCN4A P35499 2/20 0.48
MCHR1 Q99705 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL7301577 1.00 BCHE (0.57) BCHEMAOBSCN4AMCHR1SIGMAR1
SCHEMBL7264220 0.93 BCHE (0.67) BCHEMAOB
SCHEMBL7288369 0.92 BCHE (0.64) BCHESIGMAR1
SCHEMBL27315592 0.87 BCHE (0.61) BCHEMAOBMCHR1SIGMAR1
SCHEMBL3206960 0.87 BCHE (0.60) BCHEMAOBSCN4A
SCHEMBL9685669 0.87 BCHE (0.60) BCHEMAOBSCN4A
SCHEMBL2893650 0.87 BCHE (0.60) BCHEMAOBSCN4A
SCHEMBL10515058 0.86 BCHE (0.56) BCHEMAOBMCHR1SIGMAR1
SCHEMBL7458310 0.85 BCHE (0.59) BCHEMAOB
SCHEMBL7458302 0.85 BCHE (0.59) BCHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP claimed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP claimed
EP-0160451-B1 DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTER DERIVATIVE ISOMERS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP claimed
EP-0160451-A2 Dihydropyridine-3,5-dicarboxylic acid ester derivative isomers, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 EP claimed
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP disclosed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP disclosed
US-5616715-A SEPARATION OF STEREOISOMERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5463064-A Vasodilating and hypotensive activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-10-31 US disclosed
US-5364872-A Coronary vasodilators; hypotensive agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 US disclosed
EP-0160451-B1 DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTER DERIVATIVE ISOMERS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP disclosed
EP-0160451-A2 Dihydropyridine-3,5-dicarboxylic acid ester derivative isomers, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-11-06 EP disclosed