SCHEMBL23745019

SCHEMBL23745019

C=CN[C@@H](C)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
EGFR P00533 1/20 0.39
KCNA5 P22460 6/20 0.39
KCNH2 Q12809 1/20 0.39
KCNE1 P15382 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SCN1A P35498 2/20 0.36
CHRM2 P08172 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL16919267 0.81 CYP1A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5349302 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL11367296 0.77 KCNA5 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL13081517 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL125581 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12310369 0.76 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL11607120 0.75 KCNA5 (0.44) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL18513568 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21884123 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL4954290 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed