SCHEMBL7272968

SCHEMBL7272968

COCCOC(=O)C1=C(C)Nc2c(c(C(C)(C)C)nn2C)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.50
CACNA1D Q01668 6/20 0.50
LMNA P02545 5/20 0.50
KMT2A Q03164 5/20 0.50
ADORA3 P0DMS8 4/20 0.50
CYP1A2 P05177 4/20 0.50
CACNA1F O60840 4/20 0.50
CACNA1S Q13698 4/20 0.50
CACNA1B Q00975 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
ABCC4 O15439 2/20 0.50
ABCB11 O95342 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
OPRM1 P35372 2/20 0.50
SCN1A P35498 2/20 0.50
HTR2B P41595 2/20 0.50

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
SCHEMBL7271051 0.92 ACHE (0.53) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7282256 0.90 ADORA3 (0.62) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7272649 0.90 CACNA1C (0.53) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7271466 0.86 CACNA1C (0.54) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7281470 0.86 CACNA1C (0.50) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7271050 0.85 CACNA1D (0.48) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7280639 0.85 LMNA (0.54) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL10378577 0.84 LMNA (0.48) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL7281461 0.84 LMNA (0.47) CACNA1CCACNA1DLMNAKMT2AADORA3
SCHEMBL10377416 0.83 LMNA (0.46) CACNA1CCACNA1DLMNAKMT2AADORA3

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-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