SCHEMBL14180963

SCHEMBL14180963

COC[C@@H](O)Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.48
▸ GPR119 Q8TDV5 4/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ TP53 P04637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL14180961 1.00 CNR1 (0.48) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL4805929 0.90 CNR1 (0.47) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL14180939 0.90 CNR1 (0.47) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL14180952 0.89 CNR1 (0.47) CNR1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL14180756 0.89 CNR1 (0.46) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL14180951 0.89 CNR1 (0.48) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL14180949 0.86 CNR1 (0.47) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL14180950 0.85 KMT2A (0.46) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL4804647 0.85 CNR1 (0.47) CNR1GPR119RAB9ASMN1; SMN2NPC1
SCHEMBL4804639 0.85 CNR1 (0.47) CNR1GPR119RAB9ASMN1; SMN2NPC1

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
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
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