SCHEMBL7275488

SCHEMBL7275488

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.76
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL7266484 0.90 CACNA1B (0.73) CACNA1B
SCHEMBL5855180 0.89 CACNA1B (0.73) CACNA1B
SCHEMBL5856752 0.88 CACNA1B (0.71) CACNA1B
SCHEMBL5856296 0.87 CACNA1B (0.71) CACNA1B
SCHEMBL5855026 0.87 CACNA1B (0.70) CACNA1B
SCHEMBL7267420 0.87 CACNA1B (0.68) CACNA1B
SCHEMBL7524274 0.87 CACNA1B (0.79) CACNA1B
SCHEMBL7266791 0.86 CACNA1C (0.65) CACNA1BMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7530458 0.86 CACNA1B (1.00) CACNA1B
SCHEMBL5855287 0.86 CACNA1B (0.72) CACNA1B

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