SCHEMBL7271095

SCHEMBL7271095

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.42
CACNA1F O60840 5/20 0.42
CACNA1D Q01668 5/20 0.42
CACNA1S Q13698 5/20 0.42
LMNA P02545 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7278535 0.90 CACNA1F (0.44) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7273349 0.88 LMNA (0.43) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7272539 0.88 CACNA1F (0.43) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7272967 0.87 CACNA1F (0.42) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7271027 0.83 ALDH1A1 (0.46) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7272890 0.81 LMNA (0.51) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7278443 0.80 CACNA1F (0.46) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7272340 0.77 LMNA (0.45) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7272900 0.76 LMNA (0.45) CACNA1CCACNA1FCACNA1DCACNA1SLMNA
SCHEMBL7271051 0.75 ACHE (0.53) CACNA1CCACNA1FCACNA1DCACNA1SLMNA

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 2 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