SCHEMBL7264445

SCHEMBL7264445

COC(=O)OC1=C(C)NC(C)=C(c2nc(C)no2)C1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ABCC1 P33527 1/20 0.39
HPGD P15428 6/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 5/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
TACR3 P29371 1/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7264444 0.90 KMT2A (0.42) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL7263749 0.88 CACNA1B (0.38) KMT2AMAPT
SCHEMBL10995695 0.84 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7265676 0.84 ALDH1A1 (0.38) CACNA1CHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7271831 0.83 GAA (0.38) HPGDKDM4EALDH1A1HSD17B10GAA
SCHEMBL7263816 0.83 CYP2C9 (0.45) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL10786550 0.81 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CABCC1
SCHEMBL7264423 0.80 MEN1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CGAA
SCHEMBL7265694 0.79 CACNA1B (0.41) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL8437311 0.78 CACNA1F (0.51) CACNA1FCACNA1DCACNA1SCACNA1CABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP disclosed