SCHEMBL7272926

SCHEMBL7272926

CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])c2c(C(C)C)nn(C)c2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.47
CACNA1D Q01668 4/20 0.47
ADORA3 P0DMS8 3/20 0.47
CACNA1F O60840 3/20 0.47
CACNA1S Q13698 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
CACNA1B Q00975 2/20 0.47
ABCC4 O15439 2/20 0.47
ABCB11 O95342 2/20 0.47
CYP1A2 P05177 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
OPRM1 P35372 2/20 0.47
SCN1A P35498 2/20 0.47
HTR2B P41595 2/20 0.47
KCNH2 Q12809 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN2A Q99250 2/20 0.47

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
SCHEMBL7272934 1.00 CACNA1C (0.47) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7282419 0.90 ADORA3 (0.62) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7280765 0.88 CACNA1D (0.54) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7271163 0.88 CACNA1C (0.50) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7273014 0.86 CACNA1C (0.46) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7273003 0.86 CACNA1C (0.46) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7271466 0.86 CACNA1C (0.54) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7282581 0.86 ALDH1A1 (0.38) CACNA1CCACNA1DCACNA1FCACNA1SKMT2A
SCHEMBL7271106 0.84 CACNA1B (0.48) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7272349 0.83 CACNA1B (0.47) 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 4 patents. 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
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed