SCHEMBL5333907

SCHEMBL5333907

COc1ccc(-c2c(-c3ccc(Cl)cc3)nc3ccc(C(=O)N4CCCCCC4)cn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
HPGD P15428 1/20 0.50
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
MGLL Q99685 1/20 0.46
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
SLC2A1 P11166 3/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSPO P30536 1/20 0.44
F2RL1 P55085 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5337926 0.92 CNR1 (0.58) CNR1HPGDGABRA2GABRB2KCNK3
SCHEMBL5322233 0.92 CNR1 (0.58) CNR1HPGDGABRA2GABRB2KCNK3
SCHEMBL5339197 0.85 CASP1 (0.49) CNR1HPGDGABRA2GABRB2KCNK3
SCHEMBL15071133 0.85 F2RL1 (0.60) HPGDPTGS2MAPTALDH1A1KDM4E
SCHEMBL5347759 0.84 AKT1 (0.52) HPGDAKT1AKT2SLC2A1MAPT
SCHEMBL5341500 0.84 KMT2A (0.60) CNR1HPGDGABRA2GABRB2KCNK3
SCHEMBL5390922 0.84 GABRA2 (0.57) CNR1GABRA2GABRB2SLC2A1PTGS2
SCHEMBL5341068 0.83 SLC2A2 (0.52) CNR1SLC2A1
SCHEMBL5318714 0.83 POLB (0.56) CNR1HPGDGABRA2GABRB2KCNK3
SCHEMBL15071127 0.82 F2RL1 (0.62) CNR1HPGDGABRA2GABRB2LMNA

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