SCHEMBL6586005

SCHEMBL6586005

CC(C)(C)OC(=O)N1CCC(CNCc2ccc(Cl)nn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
STS P08842 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
KDM1A O60341 1/20 0.45
GLS O94925 2/20 0.45
TGFBR1 P36897 4/20 0.44
BRD4 O60885 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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
SCHEMBL15475871 0.86 KDM4E (0.48) KDM4EPKMSTSMAPTNPC1
SCHEMBL5403405 0.83 KDM4E (0.54) KDM4EPKMSTSJAK2JAK1
SCHEMBL20281446 0.82 KDM4E (0.44) KDM4EPKMSTSMAPTNPC1
SCHEMBL6584233 0.81 KDM4E (0.51) KDM4EPKMSTSJAK2JAK1
SCHEMBL3979358 0.80 KDM4E (0.57) KDM4EPKMSTSTGFBR1HTT
SCHEMBL22594810 0.79 KDM4E (0.59) KDM4EPKMKDM1ATGFBR1HTR6
SCHEMBL6585898 0.78 GPR119 (0.48) KDM4EPKM
SCHEMBL4326217 0.78 KDM4E (0.60) KDM4EPKMSTSKDM1ATGFBR1
SCHEMBL388491 0.78 KDM4E (0.47) KDM4EPKM
SCHEMBL24765850 0.77 VEGFA (0.48) STSKDM1AMAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455788-A1 1-GLYCINYL-4-AMINOMETHYL-PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049737-A1 CHEMICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed