SCHEMBL22318403

SCHEMBL22318403

CC(C)N1CCC2(CC1)CC(S)O2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 4/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL26328495 0.82 CYP2D6 (0.36) CYP2D6HRH3KDM4EMEN1ALDH1A1
SCHEMBL25089980 0.81 CYP2D6 (0.33) CYP2D6HRH3
SCHEMBL24941848 0.80 CYP2D6 (0.35) CYP2D6HRH3
SCHEMBL24865919 0.78 CYP2D6 (0.34) CYP2D6HRH3
SCHEMBL24941937 0.77 CYP2D6 (0.33) CYP2D6HRH3
SCHEMBL21142413 0.77 CYP2D6 (0.33) CYP2D6HRH3
SCHEMBL19122147 0.73 HRH3 (0.35) CYP2D6HRH3
SCHEMBL24754046 0.73 HRH3 (0.35) CYP2D6HRH3
SCHEMBL8064563 0.72 CYP2D6 (0.41) CYP2D6HRH3KDM4EMEN1ALDH1A1
SCHEMBL15960697 0.70 CYP2D6 (0.39) CYP2D6HRH3KDM4EMEN1ALDH1A1

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-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed