SCHEMBL5338077

SCHEMBL5338077

O=C(NCC1CCCCC1)c1cccn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.52
DHODH Q02127 1/20 0.48
CNR1 P21554 3/20 0.48
CNR2 P34972 2/20 0.48
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A2 O94788 1/20 0.45
ALDH1A3 P47895 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
CHEK1 O14757 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5351251 0.78 NPC1 (0.52) NPC1KDM4EALDH1A1RAB9AALDH1A3
SCHEMBL5344215 0.78 DHODH (0.56) DHODHNPC1KDM4EALDH1A1PKM
SCHEMBL5333968 0.77 DHODH (0.79) DHODHNPC1KDM4EALDH1A1PKM
SCHEMBL6178972 0.76 HTR4 (0.61) HTR4DHODH
SCHEMBL5339242 0.76 ALDH1A1 (0.56) DHODHCNR1NPC1KDM4EALDH1A1
SCHEMBL12753165 0.73 DHODH (0.62) DHODHCNR1CNR2NPC1KDM4E
SCHEMBL5351259 0.71 MEN1 (0.46) CNR1CNR2KMT2AMEN1HTT
SCHEMBL5335058 0.71 DHODH (0.65) DHODHNPC1KDM4EALDH1A1PKM
SCHEMBL18038320 0.69 DHODH (0.59) DHODHNPC1KDM4EALDH1A1PKM
SCHEMBL5338080 0.69 P2RX7 (0.46) CNR1CNR2NPC1RAB9AKMT2A

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