SCHEMBL5336841

SCHEMBL5336841

O=C(c1cc(Cl)c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)n2c1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMPD1 P17405 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 2/20 0.46
ALPL P05186 1/20 0.46
HTT P42858 1/20 0.45
AKT1 P31749 2/20 0.45
AKT2 P31751 2/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5337506 0.85 PHGDH (0.51) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL5340948 0.82 EPAS1 (0.46) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL5341020 0.77 AKT1 (0.50) AKT1AKT2
SCHEMBL5351210 0.76 CNR1 (0.54) HPGDNPC1RAB9AAKT1AKT2
SCHEMBL5342230 0.75 CNR1 (0.56) HPGDNPC1RAB9AAKT1AKT2
SCHEMBL5342400 0.74 AKT1 (0.50) AKT1AKT2CYP3A4
SCHEMBL5335702 0.73 POLB (0.51) TP53ALDH1A1AKT1AKT2CYP3A4
SCHEMBL5341021 0.71 AKT1 (0.49) SMN1; SMN2NPC1RAB9ADPP4DPP8
SCHEMBL5380026 0.70 GABRA2 (0.49) TP53AKT1AKT2CYP3A4
SCHEMBL5345220 0.69 KDM4E (0.59) SMN1; SMN2HPGDNPC1RAB9ATP53

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