SCHEMBL25075232

SCHEMBL25075232

CC(C)C(=O)N1CCC(CCCN2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
PAOX Q6QHF9 1/20 0.41
HRH1 P35367 4/20 0.38
HRH2 P25021 3/20 0.38
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRM3 P20309 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 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
SCHEMBL26295527 0.89 FAAH (0.46) FAAHDRD2DRD3HRH1HRH2
SCHEMBL26295522 0.86 FAAH (0.46) FAAHDRD2DRD3GNAI3GNAO1
SCHEMBL26295530 0.86 FAAH (0.43) FAAHDRD2DRD3HRH1HRH2
SCHEMBL25075230 0.84 GNAI3 (0.51) FAAHGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL26263451 0.83 CACNA2D1 (0.48) FAAHALDH1A1SMN1; SMN2
SCHEMBL26224205 0.80 FAAH (0.52) FAAHDRD2GNAI3GNAO1GNAI1
SCHEMBL22520728 0.79 HRH3 (0.43) FAAHDRD2DRD3SIGMAR1HRH3
SCHEMBL27108178 0.79 HSD11B1 (0.50) FAAHSIGMAR1CHRM3ALDH1A1SMN1; SMN2
SCHEMBL24320685 0.79 NCF1 (0.46) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL23560471 0.78 FAAH (0.51) FAAHGNAI3GNAO1GNAI1POLB

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