SCHEMBL7273971

SCHEMBL7273971

CCP(CC)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50
GUSB P08236 1/20 0.44
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CACNA1B Q00975 9/20 0.40
ACHE P22303 1/20 0.40
FFAR3 O14843 1/20 0.40
NOTCH1 P46531 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7265905 0.87 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7265750 0.84 CACNA1F (0.53) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7267128 0.84 CACNA1B (0.43) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7275261 0.83 CACNA1B (0.54) CACNA1B
SCHEMBL7275780 0.81 CACNA1F (0.67) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7272463 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7273667 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7266256 0.80 CACNA1F (0.50) CACNA1FCACNA1DCACNA1SCACNA1CGUSB
SCHEMBL7273867 0.79 CACNA1F (0.61) CACNA1FCACNA1DCACNA1SCACNA1CCACNA1B
SCHEMBL7266744 0.78 CACNA1F (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed