SCHEMBL5409725

SCHEMBL5409725

Cc1ccc2nc(-c3ccccc3C)c(CC(=O)C3CCCC3)n2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
ALOX5 P09917 2/20 0.46
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46
KCNH2 Q12809 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2933323 0.84 GABRB2 (0.64) ALOX5GABRA1GABRB2KDM4ELMNA
SCHEMBL6012061 0.83 NR1H4 (0.56) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL6011922 0.80 NR1H4 (0.53) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL2930896 0.80 GABRB2 (0.67) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL6012050 0.75 NR1H4 (0.45) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL6012116 0.75 GAA (0.45) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL6012071 0.72 NR1H4 (0.45) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL2312203 0.71 GABRB2 (0.67) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL15988249 0.71 RAB9A (0.47) NR1H4GABRA1GABRB2KDM4ELMNA
SCHEMBL28383326 0.69 NR1H4 (0.50) NR1H4ALOX5GABRA1GABRB2KDM4E

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
JP-2007509960-A 2007-04-19 JP claimed
EP-1682549-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS Sepracor Inc. (US) 2006-07-26 EP claimed
WO-2005044818-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR, INC. (US) 2005-05-19 WO claimed