SCHEMBL3664510

SCHEMBL3664510

O=C(O)c1cn2c(n1)CCC(c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
KMO O15229 1/20 0.40
USP5 P45974 1/20 0.40
DRD2 P14416 2/20 0.40
CHRM4 P08173 1/20 0.39
GRIN2B Q13224 1/20 0.39
NOTUM Q6P988 1/20 0.39
ADRA1A P35348 1/20 0.38
HTR7 P34969 1/20 0.38
KDM1A O60341 1/20 0.37
LDHA P00338 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL3660758 0.89 P2RY14 (0.39) ADRA1A
SCHEMBL3662919 0.86 HPGD (0.46) LMNA
SCHEMBL4028305 0.85 SCD5 (0.45) KMOUSP5CHRM4ADRA1A
SCHEMBL3664098 0.83 ADRA1A (0.54) ADRA1ALMNAMAPTSMN1; SMN2
SCHEMBL3664719 0.83 MYC (0.41) HTR2CKMOUSP5DRD2CHRM4
Hydrochloric Acid SCHEMBL4090130 0.82 ADRA1A (0.52) ADRA1ALMNAMAPTSMN1; SMN2
SCHEMBL3664678 0.80 ADRA1A (0.48) HTR2CUSP5DRD2CHRM4GRIN2B
SCHEMBL3661599 0.80 LMNA (0.54) LMNAMAPTSMN1; SMN2HTT
SCHEMBL3661446 0.80 MAPK1 (0.50) LMNAMAPTSMN1; SMN2
SCHEMBL4026557 0.79 USP5 (0.40) KMOUSP5ADRA1AHTR7LDHA

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