SCHEMBL8344136

SCHEMBL8344136

COC(=O)C/C=C(\c1cnc2ccccc2c1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.44
CAPN1 P07384 1/20 0.43
STS P08842 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGDS O60760 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL12892124 0.87 HPGDS (0.43) ACKR3CAPN1STSKMT2AKDM4E
SCHEMBL8343817 0.83 KDM2B (0.51) ACKR3CAPN1STSKMT2AKDM4E
SCHEMBL2906679 0.78 KDM4E (0.50) KMT2AKDM4EPKMHPGDSCHRNB2
SCHEMBL2901762 0.78 KDM4E (0.46) ACKR3KMT2AKDM4EPKMHPGDS
SCHEMBL2901764 0.78 KDM4E (0.46) ACKR3KMT2AKDM4EPKMHPGDS
SCHEMBL2902476 0.78 KDM4E (0.46) ACKR3KMT2AKDM4EPKMHPGDS
SCHEMBL12892122 0.76 ITGB3 (0.45) KDM4EPKMHPGDSGPR119HTT
SCHEMBL2905053 0.76 KDM4E (0.48) KMT2AKDM4EPKMHPGDSCHRNB2
SCHEMBL2905047 0.76 KDM4E (0.48) KMT2AKDM4EPKMHPGDSCHRNB2
SCHEMBL2905050 0.76 KDM4E (0.48) KMT2AKDM4EPKMHPGDSCHRNB2

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-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO disclosed