SCHEMBL30952899

SCHEMBL30952899

Nc1cc2oc(N3CCOCC3)nc2cc1CC=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.40
FAAH O00519 1/20 0.40
ELANE P08246 1/20 0.40
PIK3CB P42338 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
XRCC6 P12956 1/20 0.37
XRCC5 P13010 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL29220365 1.00 PRKDC (0.40) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL23625914 0.84 PRKDC (0.43) PRKDCFAAHELANEPIK3CBPIK3CG
SCHEMBL23625917 0.81 GPR119 (0.43) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL30952884 0.79 FAAH (0.42) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL24961378 0.79 GPR119 (0.43) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL30952895 0.79 GPR119 (0.43) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL14824496 0.77 FAAH (0.44) PRKDCFAAHELANEGPR119IRAK4
SCHEMBL14810195 0.73 FAAH (0.42) PRKDCFAAHELANEPIK3CBGPR119
SCHEMBL14809824 0.73 IRAK4 (0.49) PRKDCFAAHELANEGPR119IRAK4
SCHEMBL24961380 0.72 PKM (0.44) PRKDCFAAHELANEIRAK4ALDH1A1

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
CN-113767090-B Tricyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-05-28 CN disclosed