SCHEMBL13136641

SCHEMBL13136641

Oc1cccc(-c2ccc(N3CCOCC3)nc2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.71
PIK3CA P42336 8/20 0.61
PIK3CD O00329 1/20 0.61
FYN P06241 1/20 0.58
ERN1 O75460 1/20 0.55
PIK3CB P42338 3/20 0.54
PIK3CG P48736 3/20 0.54
AOC3 Q16853 1/20 0.53
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51

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
SCHEMBL16675745 0.84 CNR2 (0.68) CNR2PIK3CAPIK3CDERN1PIK3CG
SCHEMBL16773016 0.82 CNR2 (0.69) CNR2
SCHEMBL1311387 0.81 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGHSD17B1
SCHEMBL1443001 0.81 PIK3CA (0.58) CNR2PIK3CAPIK3CDFYNPIK3CB
SCHEMBL31590101 0.80 FYN (0.53) CNR2PIK3CAFYNAOC3HSD17B1
SCHEMBL3244371 0.80 CNR2 (0.67) CNR2ERN1AOC3
SCHEMBL28146287 0.78 CNR2 (0.64) CNR2PIK3CAERN1PIK3CBAOC3
SCHEMBL16053927 0.77 CNR2 (0.66) CNR2ERN1
SCHEMBL4856203 0.77 ALDH1A1 (0.58) CNR2
SCHEMBL31104721 0.77 ALDH1A1 (0.58) CNR2

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-7799778-B1 5-substituted 2-aminopyridine analogs for treating allergic and inflammatory diseases ALCON, INC. (CH) 2010-09-21 US disclosed
US-7799778-B1 5-substituted 2-aminopyridine analogs for treating allergic and inflammatory diseases ALCON, INC. (CH) 2010-09-21 US disclosed