SCHEMBL29862152

SCHEMBL29862152

CC(C)N(C)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.55
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 1/20 0.48
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR1B P28222 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A3 Q01959 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL18387836 1.00 SIGMAR1 (0.55) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL23458116 0.87 CA2 (0.42) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2C19
SCHEMBL29862159 0.87 CA2 (0.42) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2C19
SCHEMBL22845432 0.82 SIGMAR1 (0.42) SIGMAR1SLC6A4SLC6A2CYP1A2ALDH1A1
SCHEMBL3672188 0.81 SLC6A4 (0.54) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL13338369 0.81 SIGMAR1 (0.52) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL29862177 0.81 SIGMAR1 (0.52) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL23457994 0.81 SIGMAR1 (0.52) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL9751588 0.80 SIGMAR1 (0.47) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6
SCHEMBL23457935 0.79 SIGMAR1 (0.50) SIGMAR1SLC6A4SLC6A2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078298-A1 METHODS FOR THE SAMPLING AND AUTHENTICATION OF MARKERS IN PRESSURIZED LIQUIFIED HYDROCARBON PRODUCTS SICPA HOLDING SA (CH) 2025-04-17 WO disclosed
EP-4069807-A1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS Sicpa Holding SA (CH) 2022-10-12 EP disclosed
EP-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 EP disclosed