SCHEMBL6012071

SCHEMBL6012071

Cc1ccc2nc(-c3ccccc3C)c(CC(=O)c3c(C)nn(-c4ccccc4)c3C)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
PDE4D Q08499 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL2938107 0.89 GABRB2 (0.55) RAB9ANPC1MAPTPDE4DGABRA1
SCHEMBL6011922 0.82 NR1H4 (0.53) NR1H4RAB9ANPC1GABRA1GABRB2
SCHEMBL6012061 0.80 NR1H4 (0.56) NR1H4RAB9ANPC1GABRA1GABRB2
SCHEMBL6012116 0.75 GAA (0.45) NR1H4RAB9ANPC1GABRA1GABRB2
SCHEMBL6012050 0.75 NR1H4 (0.45) NR1H4RAB9ANPC1MAPTGABRA1
SCHEMBL2932444 0.73 GABRA1 (0.60) RAB9ANPC1PDE4DGABRA1GABRB2
SCHEMBL5409725 0.72 NR1H4 (0.47) NR1H4RAB9ANPC1GABRA1GABRB2
SCHEMBL8288592 0.70 GABRB2 (0.56) NR1H4RAB9ANPC1GABRA1GABRB2
SCHEMBL6012067 0.70 PDE4D (0.41) RAB9ANPC1MAPTPDE4DNPSR1
SCHEMBL8288535 0.69 GABRB2 (0.61) RAB9ANPC1GABRA1GABRB2KDM4E

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