SCHEMBL7279849

SCHEMBL7279849

CC1=C(C(=O)O)C(c2ccccc2C)c2c(-c3ccccc3)n[nH]c2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 1/20 0.36
CACNA1B Q00975 4/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGDS O60760 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K4 P45985 1/20 0.33
GPR68 Q15743 1/20 0.33
CDK8 P49336 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL7271268 0.85 CACNA1B (0.52) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7278444 0.83 CACNA1F (0.39) CACNA1FCACNA1DCACNA1SCACNA1CRAB9A
SCHEMBL7270984 0.79 MAPT (0.45) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL27544295 0.79 TSHR (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7278768 0.77 CACNA1D (0.53) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7272717 0.75 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7281794 0.75 NR1I2 (0.45) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7282344 0.73 ACHE (0.55) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7279903 0.73 CACNA1C (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7282703 0.73 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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