SCHEMBL26238735

SCHEMBL26238735

CC(C)CNC(=O)C(C)(C)N1CCN(c2ccccc2CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
DRD4 P21917 6/20 0.42
MC4R P32245 1/20 0.39
NPY2R P49146 2/20 0.38
RBP4 P02753 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD3 P35462 4/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL26238628 0.89 AOC3 (0.38) DRD2DRD4NPY2RRBP4MAPT
SCHEMBL26238725 0.87 DRD2 (0.39) DRD2DRD4MC4RRBP4MAPT
SCHEMBL26238724 0.85 ADRA1A (0.43) DRD2DRD4MAPTALDH1A1DRD3
SCHEMBL25388967 0.84 SMN1; SMN2 (0.47) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL25387883 0.84 MAPT (0.41) DRD2DRD4NPY2RRBP4MAPT
SCHEMBL26238734 0.82 AKR1C3 (0.46) RBP4DRD3
SCHEMBL26238728 0.82 DRD4 (0.49) DRD2DRD4MC4RALDH1A1DRD3
SCHEMBL26238797 0.82 DRD2 (0.54) DRD2DRD4MEN1KMT2AALDH1A1
SCHEMBL25389772 0.82 GPR119 (0.39) DRD2DRD4MAPTMEN1KMT2A
SCHEMBL26238732 0.81 MYC (0.41) DRD2DRD4MAPTKMT2AALDH1A1

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