SCHEMBL13070525

SCHEMBL13070525

Bc1ccc(-c2nc3oc(C(=O)CC)c(NC(=O)[C@H](C)OC(C)=O)c3cc2-c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.55
CNR2 P34972 18/20 0.55
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRA6 Q16445 2/20 0.50
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3401910 0.91 CNR1 (0.55) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3401915 0.91 CNR1 (0.55) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL13071084 0.88 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL13070803 0.85 CNR1 (0.56) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL13070324 0.83 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3401882 0.80 CNR1 (0.61) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3399060 0.80 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3399054 0.80 CNR1 (0.62) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14047887 0.80 CNR1 (0.66) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL13071081 0.79 CNR1 (0.70) CNR1CNR2GABRA1GABRB1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed