SCHEMBL7272967

SCHEMBL7272967

CCCCCCOC(=O)C1=C(C)Nc2c(c(CCC)nn2C)C1c1cccc(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
CACNA1C Q13936 5/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7272539 0.94 CACNA1F (0.43) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7278535 0.90 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7280554 0.88 LMNA (0.43) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7271095 0.87 CACNA1C (0.42) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7278558 0.83 ALDH1A1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7272900 0.82 LMNA (0.45) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7278443 0.81 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7279034 0.81 LMNA (0.52) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7272340 0.78 LMNA (0.45) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL7278464 0.77 ALDH1A1 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CLMNA

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