SCHEMBL14180959

SCHEMBL14180959

O=c1n(CC(O)c2ccc(F)cc2)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.50
▸ RAB9A P51151 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ IDO1 P14902 1/20 0.39
▸ GMNN O75496 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL14180943 0.95 CNR1 (0.52) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14180941 0.90 CNR1 (0.49) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL4804792 0.86 CNR1 (0.50) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL4804804 0.86 CNR1 (0.50) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14180955 0.85 CNR1 (0.48) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14180760 0.84 CNR1 (0.67) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14180944 0.83 CNR1 (0.56) CNR1
SCHEMBL14180759 0.82 CNR1 (0.53) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL4798348 0.81 CNR1 (0.56) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL14181011 0.80 CNR1 (0.75) CNR1RAB9AMEN1KMT2ANPC1

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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