SCHEMBL7280240

SCHEMBL7280240

COC(=O)OC1=C(C)Nc2c(c(CC(C)C)nn2C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 5/20 0.48
CACNA1D Q01668 4/20 0.48
ADORA3 P0DMS8 3/20 0.48
CACNA1F O60840 3/20 0.48
CACNA1S Q13698 3/20 0.48
ABCC4 O15439 2/20 0.48
ABCB11 O95342 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
OPRM1 P35372 2/20 0.48
SCN1A P35498 2/20 0.48
HTR2B P41595 2/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
NR1I2 O75469 1/20 0.48
NR3C1 P04150 1/20 0.48

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
SCHEMBL7271327 0.89 CACNA1C (0.60) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL9506325 0.87 GAA (0.38) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7273003 0.86 CACNA1C (0.46) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7273014 0.86 CACNA1C (0.46) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7271021 0.84 CACNA1D (0.54) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7280639 0.84 LMNA (0.54) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL6427770 0.79 ADORA3 (0.67) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL10647337 0.78 CACNA1D (0.70) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7273553 0.77 ADORA3 (0.60) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL6425245 0.76 CACNA1D (0.61) CACNA1CCACNA1DADORA3CACNA1FCACNA1S

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-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP claimed