SCHEMBL9434329

SCHEMBL9434329

CCCCCCOC(=O)C1=C(C)NC(C)=C(c2cccnc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.72
CACNA1D Q01668 8/20 0.72
CACNA1S Q13698 8/20 0.72
CACNA1C Q13936 8/20 0.72
ADORA3 P0DMS8 1/20 0.58
MEN1 O00255 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
KMT2A Q03164 4/20 0.55
HIF1A Q16665 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 0.55
THPO P40225 2/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL9433883 0.91 CACNA1F (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434137 0.90 MEN1 (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9433965 0.87 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434040 0.86 CACNA1C (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434196 0.86 CACNA1C (0.56) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434369 0.85 MAPT (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434623 0.85 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434584 0.85 CACNA1C (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434285 0.85 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9434349 0.85 CACNA1F (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed