SCHEMBL4725097

SCHEMBL4725097

CN1CCCC[C@H]1C(O)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
CNR2 P34972 1/20 0.40
BRS3 P32247 1/20 0.40
DAGLB Q8NCG7 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
SLC6A7 Q99884 1/20 0.39
ALOX5AP P20292 1/20 0.39
OPRD1 P41143 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL8211104 1.00 DPP4 (0.42) DPP4DPP7ABL1BCRCNR2
SCHEMBL4777518 0.87 SCN9A (0.41) ABL1BCR
SCHEMBL8222692 0.87 SCN9A (0.41) ABL1BCR
SCHEMBL4794269 0.85 DPP4 (0.44) DPP4DPP7ABL1BCRCNR2
SCHEMBL4780760 0.85 DPP4 (0.44) DPP4DPP7ABL1BCRCNR2
SCHEMBL4781411 0.83 CHRNB4 (0.46)
SCHEMBL4725436 0.83 CHRNB4 (0.46)
SCHEMBL4725442 0.83 CHRNB4 (0.46)
SCHEMBL1797593 0.80 CHRNB4 (0.50)
SCHEMBL6819282 0.80 CHRNB4 (0.50)

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed