SCHEMBL5317995

SCHEMBL5317995

O=C(c1cc(Br)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
AKT1 P31749 5/20 0.51
AKT2 P31751 4/20 0.51
HPGD P15428 1/20 0.43
GRIA1 P42261 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL5333366 0.91 POLB (0.49) CNR1AKT1AKT2GRIA1GABRA2
SCHEMBL5351210 0.89 CNR1 (0.54) CNR1AKT1AKT2HPGDNPC1
SCHEMBL5342230 0.88 CNR1 (0.56) CNR1AKT1AKT2HPGDNPC1
SCHEMBL5343284 0.84 AKT1 (0.53) AKT1AKT2NPC1RAB9A
SCHEMBL5318498 0.81 AKT1 (0.48) CNR1AKT1AKT2GRIA1
SCHEMBL5335702 0.80 POLB (0.51) CNR1AKT1AKT2GRIA1GABRA2
SCHEMBL5337506 0.80 PHGDH (0.51) CNR1AKT1AKT2HPGDGRIA1
SCHEMBL5337926 0.79 CNR1 (0.58) CNR1AKT1AKT2HPGDPDE4A
SCHEMBL5322233 0.79 CNR1 (0.58) CNR1AKT1AKT2HPGDPDE4A
SCHEMBL5344445 0.77 AKT1 (0.66) AKT1AKT2GABRA2GABRB2

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