SCHEMBL7356152

SCHEMBL7356152

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OCC(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.62
CACNA1D Q01668 2/20 0.62
CACNA1S Q13698 2/20 0.62
CACNA1C Q13936 2/20 0.62
ADORA3 P0DMS8 1/20 0.58
HIF1A Q16665 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54

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
SCHEMBL7358619 0.85 ADORA3 (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11003352 0.84 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11002932 0.83 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7275646 0.82 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11002983 0.81 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9085072 0.81 CACNA1F (0.73) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL7367434 0.81 KDM4E (0.49) HIF1AMEN1LMNACYP1A2CYP3A4
SCHEMBL7445582 0.80 HIF1A (0.59) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL11843543 0.80 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11007284 0.79 CACNA1F (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed