SCHEMBL8267993

SCHEMBL8267993

CNCc1c(-c2ccc(C)cc2)nc2ccc(C)cn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.59
GABRB2 P47870 3/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
ALB P02768 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM1 P11229 1/20 0.59
HPGD P15428 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA3 P34903 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR2B P41595 1/20 0.59
GABRA2 P47869 1/20 0.59
KCNH2 Q12809 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TP53 P04637 1/20 0.56
NR1H4 Q96RI1 6/20 0.55

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
Dimethylamine SCHEMBL4723549 0.85 GABRA1 (0.59) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL4253085 0.83 GABRA1 (0.54) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL1432425 0.82 GABRA1 (0.53) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL2221209 0.82 NR1H4 (0.56) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL2224325 0.82 NR1H4 (0.53) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL4259532 0.82 GABRA1 (0.56) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL1430476 0.82 GABRA1 (0.61) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL1691670 0.82 GABRA1 (0.65) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL4253068 0.82 GABRA1 (0.61) GABRA1GABRB2KDM4ELMNAALB
SCHEMBL1432756 0.82 GABRA1 (0.65) GABRA1GABRB2KDM4ELMNAALB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006051063-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, COMPOSITIONS, USES AND METHODS RELATED THERETO FERRER INTERNACIONAL S. A. (ES) 2006-05-18 WO disclosed