SCHEMBL5339245

SCHEMBL5339245

CC(C)(C)NC(=O)c1c(-c2ccc(Cl)cc2)ccn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
SLC22A12 Q96S37 1/20 0.36
NTRK1 P04629 3/20 0.36
HSD11B1 P28845 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALPL P05186 1/20 0.36
PIM1 P11309 1/20 0.35
ACVR1 Q04771 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CNR2 P34972 1/20 0.34
NAMPT P43490 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5333974 0.81 NPC1 (0.47) SLC22A12NTRK1PIM1ACVR1ANO1
SCHEMBL5335055 0.80 NAMPT (0.46) NAMPTNPC1RAB9AKMT2A
SCHEMBL5335422 0.79 SPTLC1 (0.45) CNR1TP53MDM2SLC22A12HSD11B1
SCHEMBL5344217 0.76 LMNA (0.51) TP53NPC1MAPTRAB9AKMT2A
SCHEMBL5318651 0.76 HDAC1 (0.50) CNR1TP53MDM2CNR2NAMPT
SCHEMBL5338080 0.75 P2RX7 (0.46) CNR1CNR2NPC1RAB9AKMT2A
SCHEMBL20312855 0.69 SMN1; SMN2 (0.46) TP53MAPTRAB9AKMT2A
SCHEMBL5341359 0.69 NPC1 (0.51) SLC22A12NTRK1PIM1ACVR1ANO1
SCHEMBL7317792 0.66 ALDH1A3 (0.54) TDP1NPC1MAPTRAB9AKMT2A
SCHEMBL5339242 0.66 ALDH1A1 (0.56) CNR1TP53TDP1NPC1MAPT

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