SCHEMBL5338080

SCHEMBL5338080

O=C(NCC1CCCCC1)c1c(-c2ccc(Cl)cc2)ccn2ccnc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CNR1 P21554 4/20 0.44
CNR2 P34972 4/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK14 Q16539 1/20 0.38
CHRM1 P11229 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
SCHEMBL5351259 0.82 MEN1 (0.46) P2RX7KMT2AMEN1TSHRHTT
SCHEMBL5335055 0.81 NAMPT (0.46) KMT2AMEN1TSHRHTTNPC1
SCHEMBL5344217 0.76 LMNA (0.51) KMT2AMEN1HTTNPC1RAB9A
SCHEMBL5318651 0.76 HDAC1 (0.50) CNR1CNR2RAB9AHDAC6
SCHEMBL5339245 0.75 CNR1 (0.43) KMT2ACNR1CNR2NPC1RAB9A
SCHEMBL5338077 0.69 HTR4 (0.52) KMT2AMEN1TSHRHTTCNR1
SCHEMBL3709355 0.67 KCNQ3 (0.62) KMT2AMEN1TSHRHTTCNR1
SCHEMBL5351251 0.67 NPC1 (0.52) KMT2AMEN1TSHRHTTPDE4A
SCHEMBL6026093 0.66 CNR1 (0.56) CNR1CNR2
SCHEMBL10283546 0.66 MAPK14 (0.50) KMT2AMEN1MAPK14

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