SCHEMBL26238971

SCHEMBL26238971

COc1ccccc1C1CCN(C(C)(C)C(=O)NCC(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
CHRM4 P08173 1/20 0.47
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 1/20 0.46
HCRTR2 O43614 2/20 0.43
SSTR1 P30872 1/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL26238978 0.89 USP30 (0.43) MEN1KMT2ADRD2DRD4CHRM4
SCHEMBL26239068 0.86 P2RX3 (0.40) MEN1KMT2AHCRTR2SSTR1SSTR4
SCHEMBL26238970 0.85 TRPV1 (0.44) DRD4KCNH2HCRTR2
SCHEMBL26238969 0.84 CHRM4 (0.44) KMT2ADRD2DRD4CHRM4HCRTR2
SCHEMBL26238979 0.82 ASAH1 (0.40) KMT2ASSTR1SSTR4
SCHEMBL25389373 0.81 PRCP (0.48) DRD2KCNH2
SCHEMBL26238984 0.81 ASAH1 (0.39) KMT2AHCRTR2SSTR1SSTR4
SCHEMBL26238972 0.80 ASAH1 (0.39) DRD2DRD4KCNH2HCRTR2
SCHEMBL26238797 0.80 DRD2 (0.54) MEN1KMT2ADRD2DRD4
SCHEMBL26238976 0.79 ASAH1 (0.42) DRD2DRD4HCRTR2

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