SCHEMBL25387883

SCHEMBL25387883

CC(C)CNC(=O)C(C)(C)N1CCN(c2ccccc2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ENPP2 Q13822 3/20 0.41
MYC P01106 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
RBP4 P02753 3/20 0.40
MLYCD O95822 1/20 0.39
NPY2R P49146 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
DRD3 P35462 1/20 0.38
NR4A1 P22736 1/20 0.38
KCNQ2 O43526 1/20 0.37

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 0.90 MYC (0.41) MAPTMYCDRD2DRD4ALDH1A1
SCHEMBL26238724 0.86 ADRA1A (0.43) MAPTDRD2DRD4ALDH1A1DRD3
SCHEMBL25388967 0.85 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26238627 0.85 DRD2 (0.49) MAPTDRD2DRD4ALDH1A1SMN1; SMN2
SCHEMBL26238735 0.84 DRD2 (0.42) MAPTDRD2DRD4RBP4NPY2R
SCHEMBL26238797 0.83 DRD2 (0.54) DRD2DRD4ALDH1A1NPSR1MEN1
SCHEMBL26238728 0.83 DRD4 (0.49) DRD2DRD4ALDH1A1DRD3
SCHEMBL26238734 0.83 AKR1C3 (0.46) RBP4DRD3
SCHEMBL26238505 0.82 LMNA (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26238725 0.81 DRD2 (0.39) MAPTDRD2DRD4RBP4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472947-A1 SWEETENER COMPOSITIONS Firmenich Incorporated (US) 2024-12-11 EP disclosed
WO-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed