SCHEMBL26238969

SCHEMBL26238969

CC(C)CNC(=O)C(C)(C)N1CCC(c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.42
ASAH1 Q13510 1/20 0.41
HCRTR2 O43614 4/20 0.41
GPR119 Q8TDV5 2/20 0.38
RBP4 P02753 1/20 0.38
GRM2 Q14416 2/20 0.37
OPRL1 P41146 1/20 0.37
BRD4 O60885 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SSTR4 P31391 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL26238970 0.87 TRPV1 (0.44) DRD4ASAH1HCRTR2RBP4OPRL1
SCHEMBL26238976 0.85 ASAH1 (0.42) DRD4ASAH1HCRTR2GPR119RBP4
SCHEMBL26238979 0.84 ASAH1 (0.40) LMNAASAH1RBP4KMT2ASSTR4
SCHEMBL26238971 0.84 MEN1 (0.50) CHRM4DRD4HCRTR2DRD2KMT2A
SCHEMBL26238977 0.84 ASAH1 (0.41) CHRM4DRD4ASAH1HCRTR2GPR119
SCHEMBL26239068 0.83 P2RX3 (0.40) LMNAASAH1HCRTR2KMT2ASSTR4
SCHEMBL25389373 0.83 PRCP (0.48) DRD2
SCHEMBL26238978 0.83 USP30 (0.43) CHRM4DRD4ASAH1HCRTR2DRD2
SCHEMBL26238984 0.82 ASAH1 (0.39) ASAH1HCRTR2RBP4KMT2ASSTR4
SCHEMBL26238972 0.82 ASAH1 (0.39) DRD4ASAH1HCRTR2GPR119RBP4

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed