SCHEMBL13770977

SCHEMBL13770977

Cc1ccc2nc(-c3ccccc3)c(CC(=O)c3cncn3C)n2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 4/20 0.53
GABRA1 P14867 3/20 0.53
GABRA2 P47869 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
ALB P02768 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA3 P34903 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL2929272 0.94 GABRA1 (0.60) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL8288535 0.82 GABRB2 (0.61) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL2935076 0.80 GABRA1 (0.61) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL2934780 0.79 GABRB2 (0.67) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL8288574 0.76 GABRB2 (0.57) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL13770984 0.75 GABRB2 (0.53) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL8286549 0.75 GABRA1 (0.64) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL2935333 0.75 GABRA1 (0.53) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL2929266 0.75 GABRA1 (0.74) GABRB2GABRA1GABRA2KDM4EHPGD
SCHEMBL1761287 0.75 GABRA1 (0.74) GABRB2GABRA1GABRA2KDM4EHPGD

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
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed