SCHEMBL24920445

SCHEMBL24920445

COCCCCOC[C@H]1CC[C@H](CN2CCN(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HRH1 P35367 2/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL24920448 0.81 GNAO1 (0.41) KDM4EHRH3
SCHEMBL24920959 0.80 SIGMAR1 (0.42) SIGMAR1
SCHEMBL24920453 0.80 SIGMAR1 (0.42) SIGMAR1
SCHEMBL24921844 0.79 NCF1 (0.38) HTR2AHTR2CHTR2BSIGMAR1KDM4E
SCHEMBL4401614 0.77 CHRM5 (0.48) SIGMAR1
SCHEMBL24307348 0.75 NCF1 (0.41) KDM4EHRH1HRH2HRH3
SCHEMBL27370590 0.74 ALDH1A1 (0.44) KDM4EMAPTHRH3
SCHEMBL20234243 0.74 ALDH1A1 (0.45) SIGMAR1KDM4EMAPTHRH3
SCHEMBL27267687 0.74 NCF1 (0.43) HTR2AHTR2CHTR2BSIGMAR1KDM4E
SCHEMBL24920407 0.73 ALDH1A1 (0.42) KDM4EMAPTHRH3

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed