SCHEMBL7123280

SCHEMBL7123280

COc1ccc2c(C(=O)c3ccc(C#N)cc3)c(-c3ccc(C)cc3)oc2c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.90
CNR1 P21554 5/20 0.90
MAPT P10636 3/20 0.90
CYP3A4 P08684 2/20 0.90
CASP1 P29466 2/20 0.90
CASP7 P55210 2/20 0.90
SMN1; SMN2 Q16637 2/20 0.90
ALOX15 P16050 1/20 0.90
L3MBTL1 Q9Y468 1/20 0.57
APP P05067 1/20 0.48
CYP19A1 P11511 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
MAOB P27338 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL3736014 0.95 CNR2 (1.00) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL8270651 0.87 CNR2 (0.86) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL6746977 0.85 CNR2 (0.82) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL684780 0.85 CNR2 (0.81) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL6748804 0.81 CNR2 (0.75) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL7640834 0.80 CNR2 (0.74) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL11736681 0.78 L3MBTL1 (0.90) CNR2CNR1SMN1; SMN2L3MBTL1APP
SCHEMBL11671790 0.78 L3MBTL1 (0.90) CNR2CNR1SMN1; SMN2L3MBTL1APP
SCHEMBL24046767 0.77 CYP3A4 (0.79) CNR2CNR1MAPTCYP3A4CASP1
SCHEMBL7638171 0.77 CNR2 (0.69) CNR2CNR1MAPTCYP3A4CASP1

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
EP-0766559-B1 CANNABINOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-11-19 EP disclosed
US-5596106-A ARYL-BENZO(B)THIOPHENE OR BENZO(B)FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed