SCHEMBL23944123

SCHEMBL23944123

COCC1(F)CCN(C2CCOC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL24774834 0.85 CNR2 (0.32) HRH3
SCHEMBL24774512 0.76 HRH3 (0.37) HRH3MEN1NPC1GAAMAPT
SCHEMBL24737029 0.75 HRH3 (0.36) HRH3MEN1NPC1GAAMAPT
SCHEMBL24775986 0.75 HRH3 (0.40) HRH3MEN1NPC1GAAMAPT
SCHEMBL24774509 0.72 ALDH1A1 (0.32)
SCHEMBL25481364 0.70
Hydrochloric Acid SCHEMBL19747700 0.69 HRH3 (0.35) HRH3
SCHEMBL25640280 0.69 HRH3 (0.39) HRH3
SCHEMBL12518135 0.68
SCHEMBL8267935 0.67 KDM1A (0.34) GAAMAPK1

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-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed