SCHEMBL3663723

SCHEMBL3663723

COc1ccc(F)cc1C1CCc2nc(C(=O)O)cn2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC2 Q92769 1/20 0.39
PIN1 Q13526 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
TTR P02766 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
NTSR1 P30989 1/20 0.37
PDE2A O00408 1/20 0.37
HTR2A P28223 1/20 0.36
NTRK1 P04629 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL4027548 0.86 HCAR2 (0.47) RBP4PTGDR2HDAC2SMN1; SMN2NTRK1
SCHEMBL3662517 0.81 MAPK14 (0.52) SMN1; SMN2
SCHEMBL4026901 0.79 MEN1 (0.51)
SCHEMBL3664232 0.79 HDAC2 (0.44) RBP4HDAC2SMN1; SMN2
SCHEMBL4028305 0.77 SCD5 (0.45) HDAC2CHRM4
SCHEMBL3657332 0.77 TSHR (0.54) SMN1; SMN2
SCHEMBL3665381 0.76 ADRA1A (0.44) SMN1; SMN2
SCHEMBL4029030 0.76 STAT1 (0.36) HDAC2SMN1; SMN2
SCHEMBL4088745 0.76 ADRA1A (0.57) SLC6A3
SCHEMBL3664678 0.75 ADRA1A (0.48) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP disclosed
EP-2235013-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2010-10-06 EP disclosed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO disclosed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP disclosed