SCHEMBL10692729

SCHEMBL10692729

COc1ccc(C(=O)NC2CCCNC2)c(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
OPRK1 P41145 1/20 0.68
PBK Q96KB5 6/20 0.47
ALDH1A1 P00352 2/20 0.46
DRD4 P21917 1/20 0.46
HPGD P15428 1/20 0.46
CHEK1 O14757 5/20 0.44
CDK2AP1 O14519 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL8310476 0.82 MAPK1 (0.46) MAPK1OPRK1ALDH1A1HPGDMEN1
Troxipide SCHEMBL400623 0.81 MAPK1 (1.00) MAPK1OPRK1MEN1KMT2A
SCHEMBL1564166 0.79 CHEK1 (0.67) CHEK1CDK2AP1
SCHEMBL1580074 0.76 MAPK1 (0.56) MAPK1OPRK1PBKALDH1A1HPGD
SCHEMBL13845998 0.76 MAPK1 (0.72) MAPK1OPRK1CHEK1CDK2AP1MEN1
SCHEMBL13846013 0.76 MAPK1 (0.72) MAPK1OPRK1CHEK1CDK2AP1MEN1
SCHEMBL13881171 0.75 MAPK1 (0.61) MAPK1OPRK1ALDH1A1DRD4CHEK1
SCHEMBL10352761 0.75 MAPK1 (0.44) MAPK1OPRK1ALDH1A1HPGDL3MBTL1
SCHEMBL3591417 0.74 MAPK1 (0.60) MAPK1OPRK1PBKALDH1A1HPGD
SCHEMBL3591415 0.74 MAPK1 (0.60) MAPK1OPRK1PBKALDH1A1HPGD

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
EP-0254068-A2 Novel therapeutic agent for gastritis KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-01-27 EP disclosed