SCHEMBL25075302

SCHEMBL25075302

CCC1CC(C(=O)N2CCC(C3CN(C(C)C)C3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
ALDH1A1 P00352 3/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNH2 Q12809 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL26295618 0.83 HRH3 (0.43) HRH3ALDH1A1SMN1; SMN2KCNH2HPGD
SCHEMBL25513779 0.79 HRH3 (0.42) HRH3HSD11B1MEN1KMT2ADPP8
SCHEMBL18374885 0.75 CHRNB2 (0.53) HRH3ALDH1A1HSD11B1MAPTHPGD
SCHEMBL26295606 0.74 HRH3 (0.46) HRH3ALDH1A1HSD11B1KCNH2CYP2D6
SCHEMBL24870374 0.74 PIK3CD (0.43) HRH3MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL26498812 0.73 HRH3 (0.45) HRH3DPP8DPP7SIGMAR1KCNH2
SCHEMBL26295610 0.73 HRH3 (0.40) HRH3HSD11B1
SCHEMBL25489003 0.72 HRH3 (0.54) HRH3ALDH1A1HSD11B1DPP8DPP7
SCHEMBL26295566 0.72 CHRNB2 (0.42) HRH3ALDH1A1MEN1KMT2AEPHX2
SCHEMBL26498816 0.72 HRH3 (0.35) HRH3ALDH1A1HSD11B1SMN1; SMN2HPGD

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