SCHEMBL30893161

SCHEMBL30893161

CNCC/C=C1\c2ccccc2CCc2sccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.76
SLC6A2 P23975 6/20 0.76
CYP3A4 P08684 5/20 0.76
CYP2D6 P10635 5/20 0.76
CYP1A2 P05177 4/20 0.76
CHRM2 P08172 4/20 0.76
ADRA2A P08913 4/20 0.76
CHRM1 P11229 4/20 0.76
DRD2 P14416 4/20 0.76
ADRA2B P18089 4/20 0.76
ADRA2C P18825 4/20 0.76
HTR2A P28223 4/20 0.76
HTR2C P28335 4/20 0.76
SLC6A4 P31645 4/20 0.76
ADRA1A P35348 4/20 0.76
HRH1 P35367 4/20 0.76
DRD3 P35462 4/20 0.76
OPRK1 P41145 4/20 0.76
HTR2B P41595 4/20 0.76
SLC6A3 Q01959 4/20 0.76

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
Nortriptyline SCHEMBL34527 0.87 SLC6A2 (1.00) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL1286980 0.87 SLC6A2 (1.00) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL29362430 0.87 SLC6A2 (1.00) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL41329 0.86 CYP3A4 (1.00) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL29751879 0.86 CYP3A4 (1.00) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL7158809 0.86 SLC6A2 (0.97) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL2244623 0.84 SLC6A2 (0.94) LMNASLC6A2CYP3A4CYP2D6CYP1A2
Nortriptyline SCHEMBL7092935 0.84 LMNA (0.94) LMNASLC6A2CYP3A4CYP2D6CYP1A2
SCHEMBL1803713 0.82 SLC6A2 (0.49) LMNASLC6A2CYP3A4CYP2D6CYP1A2
SCHEMBL29453272 0.82 HTR2B (0.76) LMNASLC6A2CYP3A4CYP2D6CYP1A2

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
US-20240150408-A1 METHODS AND SYSTEMS FOR TARGETING AUTOIMMUNE AND INFLAMMATORY PATHWAYS USING NANOLIGOMERS Sachi Bioworks Inc. (US) 2024-05-09 US disclosed