SCHEMBL5344138

SCHEMBL5344138

CCNC(=O)c1cc(I)cn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.44
CNR2 P34972 1/20 0.43
NR4A2 P43354 1/20 0.41
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
PSD A5PKW4 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HSP90AB1 P08238 1/20 0.39
KCNA3 P22001 1/20 0.38
CNR1 P21554 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5336571 0.89 CNR1 (0.46) TMIGD3CNR2KDM4EALDH1A1KCNA3
SCHEMBL5341400 0.82 DHODH (0.51) TMIGD3NR4A2NPC1KDM4EALDH1A1
SCHEMBL5344215 0.67 DHODH (0.56) TMIGD3NPC1KDM4EALDH1A1RAB9A
SCHEMBL5339242 0.66 ALDH1A1 (0.56) TMIGD3NR4A2NPC1KDM4EALDH1A1
SCHEMBL5341342 0.66 ALPL (0.49) NPC1KDM4EALDH1A1RAB9APKM
SCHEMBL5333968 0.66 DHODH (0.79) TMIGD3NPC1KDM4EALDH1A1RAB9A
SCHEMBL5338077 0.65 HTR4 (0.52) CNR2NPC1KDM4EALDH1A1RAB9A
SCHEMBL13381913 0.65 HSD17B10 (0.49) NPC1ALDH1A1LMNAHPGDCYP2C19
SCHEMBL5344142 0.64 PDE4B (0.39) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL8424856 0.63 MEN1 (0.63) KDM4EALDH1A1RAB9ALMNASMN1; SMN2

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
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed