SCHEMBL1165321

SCHEMBL1165321

O=C(O)N1C2CCC1CC(Oc1ccccn1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 4/20 0.48
OPRK1 P41145 3/20 0.48
HRH3 Q9Y5N1 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
HCRTR2 O43614 8/20 0.42
HCRTR1 O43613 4/20 0.42
FFAR1 O14842 2/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL20958454 1.00 NAAA (0.51) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL20958452 1.00 NAAA (0.51) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL1165320 1.00 NAAA (0.51) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL22866415 0.84 NAAA (0.47) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL22174117 0.84 NAAA (0.47) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL22866416 0.84 NAAA (0.47) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL22174122 0.84 NAAA (0.47) NAAAEPHX2KCNH2OPRK1HRH3
SCHEMBL12094627 0.82 GPR119 (0.61) NAAAGPR119
SCHEMBL20958519 0.82 KCNH2 (0.42) KCNH2OPRK1GPR119
SCHEMBL20958461 0.81 NAAA (0.51) NAAAEPHX2KCNH2OPRK1

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
WO-2011021645-A1 BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF 大日本住友製薬株式会社 (JP) 2011-02-24 WO disclosed