SCHEMBL7300126

SCHEMBL7300126

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC=Cc2ccccc2)=C(C)N1Cl

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.74
ADORA3 P0DMS8 2/20 0.66
CACNA1C Q13936 2/20 0.66
MEN1 O00255 1/20 0.66
MLNR O43193 1/20 0.66
NR1I2 O75469 1/20 0.66
CACNA1H O95180 1/20 0.66
NR3C1 P04150 1/20 0.66
TBXA2R P21731 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
PDE4D Q08499 1/20 0.66
SLC29A1 Q99808 1/20 0.66
PDE1C Q14123 1/20 0.51
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50

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
SCHEMBL7293461 0.88 CACNA1B (0.58) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL9401939 0.86 CACNA1F (0.66) ADORA3CACNA1CMEN1KMT2APDE1C
SCHEMBL9401841 0.86 CACNA1B (0.56) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL9401782 0.86 CACNA1B (0.56) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL9401969 0.86 CACNA1B (0.56) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL7298605 0.85 CACNA1B (1.00) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL7298610 0.85 CACNA1B (1.00) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL10739973 0.85 CACNA1B (1.00) CACNA1BADORA3CACNA1CMEN1MLNR
SCHEMBL10739981 0.85 CACNA1B (1.00) CACNA1BADORA3CACNA1CMEN1MLNR
Hydrochloric Acid SCHEMBL7300133 0.84 CACNA1B (0.98) CACNA1BADORA3CACNA1CMEN1MLNR

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-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed