SCHEMBL25075199

SCHEMBL25075199

CCN1CCC(CCOCCOCCC(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
SIGMAR1 Q99720 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.31
HTR4 Q13639 1/20 0.30

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
SCHEMBL26501021 0.87 PIK3CD (0.36) HRH3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL25725586 0.85 PIK3CD (0.37) HRH3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL25075448 0.82 HRH3 (0.38) HRH3
SCHEMBL17285622 0.81 HRH3 (0.42) HRH3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL102108 0.81 HRH3 (0.41) HRH3HSD11B1SMN1; SMN2HTR4
SCHEMBL25075442 0.80 HRH3 (0.39) HRH3
SCHEMBL27058941 0.79 HRH3 (0.44) HRH3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL23560328 0.78 HRH3 (0.40) HRH3HSD11B1SMN1; SMN2
SCHEMBL15032671 0.77 HRH3 (0.41) HRH3
SCHEMBL22526530 0.76 HRH3 (0.39) HRH3HSD11B1SMN1; SMN2

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