SCHEMBL27460428

SCHEMBL27460428

CN1CCC(OC2=CC(N)=CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23969941 0.79 HRH3 (0.35) HRH3CHRM2CHRM1HTR1AADRA2A
SCHEMBL3975015 0.70 HRH3 (0.38) HRH3CHRM2CHRM1HTR1AADRA2A
SCHEMBL188685 0.67 HRH3 (0.65) HRH3SMN1; SMN2KDM4EMAOAMAOB
SCHEMBL20043816 0.64 HRH3 (0.51) HRH3CYP2D6SMN1; SMN2MAOAMAOB
SCHEMBL4491187 0.64 HRH3 (0.44) HRH3DRD1OPRM1SMN1; SMN2KDM4E
SCHEMBL933180 0.64 HRH3 (0.38) HRH3CHRM2CHRM1HTR1AADRA2A
SCHEMBL19764133 0.63 HRH3 (0.44) HRH3CHRM2CHRM1SMN1; SMN2CHRM4
SCHEMBL16712916 0.63 HRH3 (0.59) HRH3SMN1; SMN2MAOAMAOBSCN1A
SCHEMBL16513840 0.62 HRH3 (0.50) HRH3SMN1; SMN2MAOAMAOB
SCHEMBL3022887 0.62 HRH3 (0.43) HRH3SMN1; SMN2KDM4ENPY1RNPY2R

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-2024145315-A1 TARGETED PROTEIN DEGRADERS OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) NORTHWESTERN UNIVERSITY (US) 2024-07-04 WO disclosed