SCHEMBL5333366

SCHEMBL5333366

CN1CCN(C(=O)c2cc(Br)c3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)n3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
CNR1 P21554 1/20 0.47
AKT1 P31749 3/20 0.46
AKT2 P31751 2/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
KMT2A Q03164 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
GRIA1 P42261 2/20 0.43
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
FABP6 P51161 1/20 0.41
MEN1 O00255 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 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
SCHEMBL5317995 0.91 CNR1 (0.52) CNR1AKT1AKT2GABRA2GABRB2
SCHEMBL5335702 0.90 POLB (0.51) POLBCNR1AKT1AKT2GABRA2
SCHEMBL5380026 0.86 GABRA2 (0.49) POLBCNR1AKT1AKT2GABRA2
SCHEMBL5339747 0.82 POLB (0.50) POLBGABRA2GABRB2KMT2AMKNK1
SCHEMBL5343284 0.81 AKT1 (0.53) AKT1AKT2MAPT
SCHEMBL5318714 0.81 POLB (0.56) POLBCNR1GABRA2GABRB2KMT2A
SCHEMBL5318498 0.81 AKT1 (0.48) POLBCNR1AKT1AKT2GRIA1
SCHEMBL5351210 0.80 CNR1 (0.54) CNR1AKT1AKT2
SCHEMBL5342230 0.79 CNR1 (0.56) CNR1AKT1AKT2
SCHEMBL5341500 0.78 KMT2A (0.60) POLBCNR1AKT1AKT2GABRA2

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