SCHEMBL13070802

SCHEMBL13070802

CC(=O)Nc1c(C(=O)C(C)C)oc2nc(-c3ccc(C)cc3Cl)c(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.67
CNR2 P34972 18/20 0.67
GABRA1 P14867 3/20 0.55
GABRB1 P18505 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRA6 Q16445 2/20 0.55
KCNH2 Q12809 1/20 0.50
EGFR P00533 1/20 0.49
ALOX5 P09917 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRA2C P18825 1/20 0.49
MAPK3 P27361 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SLC18A2 Q05940 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL3399052 0.92 CNR1 (0.66) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14047887 0.90 CNR1 (0.66) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628376 0.89 CNR1 (0.83) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3397050 0.87 CNR1 (0.59) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL3399504 0.86 CNR1 (0.60) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1627915 0.84 CNR1 (0.85) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL1628252 0.84 CNR1 (0.72) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14047677 0.83 CNR1 (0.56) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL14028226 0.83 CNR1 (0.64) CNR1CNR2GABRA1GABRB1GABRA5
SCHEMBL5249229 0.83 CNR1 (0.67) 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