SCHEMBL4585642

SCHEMBL4585642

COC(=O)c1ccc(N(C2CCNCC2)[C@H](C)CCN)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
OPRD1 P41143 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KLKB1 P03952 1/20 0.36
EPHX1 P07099 1/20 0.35
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
ATM Q13315 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4585644 0.77 MAPT (0.40) LOXL2OPRD1MEN1KMT2AMAPT
SCHEMBL4585573 0.75 HTR1F (0.36) GAA
SCHEMBL4586114 0.75 CCR5 (0.44)
SCHEMBL18361035 0.75 NOTUM (0.46) OPRD1MEN1KMT2AMAPTMAPK1
SCHEMBL18361366 0.74 MEN1 (0.44) LOXL2OPRD1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL21043567 0.73 MEN1 (0.44) LOXL2OPRD1MEN1KMT2AMAPT
SCHEMBL18361056 0.72 MEN1 (0.41) LOXL2OPRD1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL21043585 0.71 MEN1 (0.41) LOXL2OPRD1MEN1KMT2AMAPT
SCHEMBL28363673 0.70 NOTUM (0.43) MEN1KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL17572927 0.70 SMN1; SMN2 (0.44) OPRD1MEN1KMT2AALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed