SCHEMBL14180759

SCHEMBL14180759

CC(C)Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.53
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL14180765 0.86 CNR1 (0.56) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180943 0.86 CNR1 (0.52) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180756 0.86 CNR1 (0.46) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180939 0.84 CNR1 (0.47) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180979 0.84 CNR1 (0.62) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL4800125 0.84 CNR1 (0.70) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180963 0.84 CNR1 (0.48) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180961 0.84 CNR1 (0.48) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180941 0.83 CNR1 (0.49) CNR1RAB9ANPC1ALDH1A1MEN1
SCHEMBL14180944 0.83 CNR1 (0.56) CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 — — EP disclosed
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