SCHEMBL7272599

SCHEMBL7272599

CCOC(=O)C1=C(C)Nc2c(c(-c3ccccc3)nn2C)C1c1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 3/20 0.49
CACNA1C Q13936 3/20 0.49
CACNA1F O60840 2/20 0.49
CACNA1S Q13698 2/20 0.49
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7272932 0.91 CACNA1C (0.53) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7272356 0.83 ALDH1A1 (0.42) KDM4EALDH1A1ADORA3NPSR1LMNA
SCHEMBL7272365 0.82 ACHE (0.53) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7278768 0.81 CACNA1D (0.53) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7280226 0.80 ACHE (0.52) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7282275 0.78 CA1 (0.49) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7282043 0.78 CACNA1F (0.64) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL7271096 0.75 CA1 (0.46) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7281470 0.74 CACNA1C (0.50) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E
SCHEMBL7281990 0.74 ADORA3 (0.58) CACNA1DCACNA1CCACNA1FCACNA1SKDM4E

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