SCHEMBL26238797

SCHEMBL26238797

COc1ccccc1N1CCN(C(C)(C)C(=O)NCC(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
DRD4 P21917 4/20 0.54
DRD3 P35462 3/20 0.53
ADRA1A P35348 1/20 0.53
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL26238732 0.85 MYC (0.41) DRD2DRD4DRD3ADRA1ACYP3A4
SCHEMBL26238724 0.84 ADRA1A (0.43) DRD2DRD4DRD3ADRA1AALDH1A1
SCHEMBL26238725 0.84 DRD2 (0.39) DRD2DRD4DRD3ADRA1ACYP3A4
SCHEMBL25388967 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4ECYP1A2CYP2D6ALOX15
SCHEMBL25387883 0.83 MAPT (0.41) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL26238735 0.82 DRD2 (0.42) DRD2DRD4DRD3ALDH1A1MAPK1
SCHEMBL26238728 0.81 DRD4 (0.49) DRD2DRD4DRD3CYP3A4ALDH1A1
SCHEMBL26238734 0.81 AKR1C3 (0.46) DRD3
SCHEMBL26238627 0.80 DRD2 (0.49) DRD2DRD4ALDH1A1KDM4EHTT
SCHEMBL26238505 0.80 LMNA (0.50) ALDH1A1KDM4EALOX15HSD17B10LMNA

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