SCHEMBL9833239

SCHEMBL9833239

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCC=Cc2ccccc2)=C(C)N1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.83
CACNA1C Q13936 10/20 0.76
ADORA3 P0DMS8 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
TBXA2R P21731 2/20 0.76
MLNR O43193 1/20 0.76
NR1I2 O75469 1/20 0.76
CACNA1H O95180 1/20 0.76
NR3C1 P04150 1/20 0.76
HTT P42858 1/20 0.76
PDE4D Q08499 1/20 0.76
SLC29A1 Q99808 1/20 0.76
CACNA1F O60840 8/20 0.68
CACNA1D Q01668 8/20 0.68
CACNA1S Q13698 8/20 0.68
PDE1C Q14123 1/20 0.66
CYP1A2 P05177 4/20 0.61
CYP3A4 P08684 4/20 0.61
CYP2C9 P11712 4/20 0.61

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
SCHEMBL10744191 0.94 MEN1 (0.78) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL10744188 0.94 MEN1 (0.78) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL9833505 0.93 CACNA1B (0.72) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL9833517 0.93 CACNA1B (0.72) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL10739981 0.91 CACNA1B (1.00) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL7298605 0.91 CACNA1B (1.00) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL10739973 0.91 CACNA1B (1.00) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL7298610 0.91 CACNA1B (1.00) CACNA1BCACNA1CADORA3MEN1KMT2A
Hydrochloric Acid SCHEMBL7300133 0.90 CACNA1B (0.98) CACNA1BCACNA1CADORA3MEN1KMT2A
SCHEMBL10745200 0.89 CACNA1C (0.75) CACNA1BCACNA1CADORA3MEN1KMT2A

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-0161877-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1991-05-29 EP claimed