SCHEMBL8294657

SCHEMBL8294657

CNC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.50
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR2 O95136 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ACKR3 P25106 1/20 0.45

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
SCHEMBL1022120 0.90 GLS (0.49) GLSKDM4EPKMLMNAMEN1
SCHEMBL8294658 0.89 GLS (0.49) GLSKDM4EPKMLMNAMEN1
SCHEMBL1020384 0.87 MEN1 (0.53) GLSKDM4ELMNAMEN1KMT2A
SCHEMBL30525131 0.87 MEN1 (0.53) GLSKDM4ELMNAMEN1KMT2A
SCHEMBL4836517 0.87 CYP2D6 (0.60) GLSKDM4ELMNAMEN1KMT2A
SCHEMBL8616309 0.87 GLS (0.50) GLSKDM4ELMNAMEN1KMT2A
SCHEMBL12954829 0.86 GLS (0.47) GLSMEN1KMT2ATBK1ACKR3
SCHEMBL23014291 0.85 KDM4E (0.52) GLSKDM4EPKMLMNAMEN1
SCHEMBL29733707 0.85 KDM4E (0.52) GLSKDM4EPKMLMNAMEN1
SCHEMBL1020065 0.85 PKM (0.47) GLSKDM4EPKMTBK1HDAC1

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-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed