SCHEMBL29138945

SCHEMBL29138945

O=CN1CC[C@H](c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
PDE9A O76083 1/20 0.38
MAP3K12 Q12852 1/20 0.37
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
ADRA1B P35368 1/20 0.36
P2RY14 Q15391 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMO Q99835 1/20 0.35
CCR6 P51684 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
DPP4 P27487 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL29138897 1.00 KDM4E (0.40) KDM4EABL1LMNAPDE9AMAP3K12
SCHEMBL30837129 1.00 KDM4E (0.40) KDM4EABL1LMNAPDE9AMAP3K12
SCHEMBL28818452 0.92 LMNA (0.41) KDM4EABL1LMNAPDE9AADRA2A
SCHEMBL29138936 0.89 PDE9A (0.41) KDM4EABL1LMNAPDE9AGPR119
SCHEMBL28721938 0.79 HSD11B1 (0.39) DPP4
SCHEMBL29138789 0.79 ADRA2A (0.49) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL28818450 0.79 ADRA2A (0.49) ADRA2ADRD1DRD5ADRA1BP2RY14
SCHEMBL16452781 0.76 KMT2A (0.42) KDM4EABL1LMNAPDE9AGPR119
SCHEMBL29852305 0.76 KMT2A (0.42) KDM4EABL1LMNAPDE9AGPR119
SCHEMBL21037760 0.76 KCNH2 (0.47) KDM4EABL1LMNAMAP3K12GPR119

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
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed