SCHEMBL25075012

SCHEMBL25075012

CCC(=O)N1CCN(CCCC2CCN(C(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 3/20 0.39
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 4/20 0.37
HRH2 P25021 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL24671522 0.92 HSD11B1 (0.43) HSD11B1GNAI3GNAO1GNAI1DRD3
SCHEMBL24475306 0.86 HRH3 (0.42) HSD11B1GNAI3GNAO1GNAI1DRD3
SCHEMBL26295530 0.85 FAAH (0.43) DRD3DRD2KCNH2HRH3CYP2D6
SCHEMBL26295658 0.83 HRH3 (0.47) HSD11B1GNAI3GNAO1GNAI1DRD3
SCHEMBL22520620 0.82 MAOB (0.42) GNAO1DRD3DRD2KCNH2HRH3
SCHEMBL24475305 0.81 GNAO1 (0.39) HSD11B1GNAO1DRD3DRD2HRH3
SCHEMBL25819363 0.81 HRH3 (0.44) DRD3DRD2KCNH2HRH3CYP2D6
SCHEMBL26295701 0.80 HRH3 (0.48) HSD11B1DRD3DRD2KCNH2HRH3
SCHEMBL26295527 0.80 FAAH (0.46) DRD3DRD2KCNH2HRH3CYP2D6
SCHEMBL22520684 0.79 HRH3 (0.43) GNAI3GNAO1GNAI1DRD3DRD2

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed