SCHEMBL7427151

SCHEMBL7427151

COC(=O)C1=C(C)NC(CCC(SC(C)=O)c2ccccc2)=C(C(=O)OC)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.56
CACNA1D Q01668 4/20 0.56
CACNA1S Q13698 4/20 0.56
CACNA1C Q13936 4/20 0.56
GUSB P08236 1/20 0.47
ADORA3 P0DMS8 2/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
OPRK1 P41145 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PDE3A Q14432 1/20 0.42
CACNA1B Q00975 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10614380 0.91 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10614366 0.84 CACNA1C (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9809437 0.83 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9809425 0.83 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9809455 0.83 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9809495 0.82 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9809448 0.81 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL9022136 0.78 CACNA1F (0.79) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7272338 0.76 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL11858901 0.76 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CGUSB

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
WO-1988005043-A1 NEW ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1988-07-14 WO claimed
EP-0272693-A2 New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-29 EP claimed
US-5075324-A ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-12-24 US disclosed
EP-0272693-A2 New aralkyl-1,4-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-06-29 EP disclosed