SCHEMBL9401942

SCHEMBL9401942

CC1=C(C(=O)OC/C=C/c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC/C=C/c2ccc(Cn3ccnc3)cc2)=C(C)N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.70
CACNA1C Q13936 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ADORA3 P0DMS8 2/20 0.68
MLNR O43193 1/20 0.68
NR1I2 O75469 1/20 0.68
CACNA1H O95180 1/20 0.68
NR3C1 P04150 1/20 0.68
TBXA2R P21731 1/20 0.68
HTT P42858 1/20 0.68
PDE4D Q08499 1/20 0.68
SLC29A1 Q99808 1/20 0.68
PDE1C Q14123 1/20 0.56
CACNA1F O60840 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
HIF1A Q16665 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL9401953 1.00 CACNA1B (0.70) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401944 1.00 CACNA1B (0.70) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401719 0.98 CACNA1B (0.66) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7291859 0.98 CACNA1B (0.66) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401644 0.96 CACNA1B (0.72) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401816 0.96 CACNA1B (0.72) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7290001 0.96 CACNA1B (0.72) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL7290012 0.96 CACNA1B (0.72) CACNA1BCACNA1CMEN1KMT2AADORA3
Hydrochloric Acid SCHEMBL9401849 0.96 CACNA1B (0.71) CACNA1BCACNA1CMEN1KMT2AADORA3
SCHEMBL9401968 0.96 CACNA1B (0.64) CACNA1BCACNA1CMEN1KMT2AADORA3

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed