SCHEMBL9675181

SCHEMBL9675181

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3C2=O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
CYP1A2 P05177 4/20 0.70
CYP3A4 P08684 4/20 0.70
CYP2C9 P11712 4/20 0.70
CYP2C19 P33261 4/20 0.70
LMNA P02545 3/20 0.70
MAPT P10636 3/20 0.70
CYP2D6 P10635 2/20 0.70
TSHR P16473 2/20 0.70
NFKB1 P19838 2/20 0.70
THPO P40225 2/20 0.70
CACNA1C Q13936 8/20 0.68
CACNA1F O60840 7/20 0.68
CACNA1D Q01668 7/20 0.68
CACNA1S Q13698 7/20 0.68
ADORA3 P0DMS8 2/20 0.66
MLNR O43193 1/20 0.66
NR1I2 O75469 1/20 0.66
CACNA1H O95180 1/20 0.66

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
SCHEMBL7341750 0.96 CACNA1F (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7350843 0.95 MAPT (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10918103 0.95 MAPT (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7274108 0.94 CACNA1F (0.75) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7279871 0.92 MAPT (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9672729 0.91 CACNA1F (0.68) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9674767 0.90 CACNA1F (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7282141 0.90 CACNA1F (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7346945 0.90 CACNA1F (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10742637 0.90 MAPT (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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
EP-0250725-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1992-11-04 EP disclosed
US-4757080-A Pharmaceuticals HEUMANN PHARMA GMBH & CO. (DE) 1988-07-12 US disclosed
EP-0250725-A1 1,4-Dihydropyridine derivatives, processes for their preparation and medicaments containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-07 EP disclosed