SCHEMBL20070112

SCHEMBL20070112

CN(C)CC(=O)NC1(N)CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.33
MAPT P10636 2/20 0.33
HTR1A P08908 1/20 0.33
DPP4 P27487 1/20 0.32
KDM4E B2RXH2 2/20 0.31
OPRM1 P35372 3/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL20069553 0.78 DPP4 (0.33) BDKRB2DPP4KDM4EOPRM1SLC22A1
SCHEMBL20069566 0.75 PIK3CD (0.35) DPP4KDM4EOPRM1SLC22A1SLC6A4
SCHEMBL20069554 0.74 CYP1A2 (0.37) BDKRB2OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL20069607 0.73 ADRB2 (0.46) BDKRB2DPP4KDM4EOPRM1SLC22A1
SCHEMBL20070114 0.72 SMN1; SMN2 (0.49) KDM4E
SCHEMBL20070115 0.71 SMN1; SMN2 (0.52) MAPT
SCHEMBL20070118 0.69 XIAP (0.35) DPP4KDM4E
SCHEMBL20069061 0.67 DPP4 (0.36) DPP4KDM4E
SCHEMBL29290043 0.67 DRD2 (0.38)
SCHEMBL20070121 0.66 ALDH1A1 (0.33) DPP4OPRM1SLC22A1SLC6A4ADRA1A

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed