SCHEMBL2170338

SCHEMBL2170338

CN(C)CCCc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
AOC3 Q16853 1/20 0.41

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
SCHEMBL20408267 0.94 SIGMAR1 (0.53) SLC6A4SIGMAR1TAAR1SLC6A2SLC6A3
SCHEMBL3462477 0.88 TAAR1 (0.59) SLC6A4SIGMAR1TAAR1SLC6A2SLC6A3
SCHEMBL23159850 0.80 ALOX15 (0.47) SIGMAR1TAAR1
SCHEMBL23159894 0.80 ALOX15 (0.47) SIGMAR1TAAR1HTR2A
SCHEMBL27791791 0.79 SIGMAR1 (0.41) SIGMAR1AOC3
SCHEMBL9670821 0.79 SIGMAR1 (0.63) SLC6A4SIGMAR1TAAR1HTR2AHRH1
SCHEMBL23159817 0.78 SIGMAR1 (0.46) SIGMAR1TAAR1
SCHEMBL6004011 0.78 SIGMAR1 (0.46) SIGMAR1TAAR1HTR2A
SCHEMBL30929931 0.78 SIGMAR1 (0.46) SIGMAR1TAAR1HTR2A
SCHEMBL14875929 0.77 NOS1 (0.40) SLC6A4

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-20110184078-A1 Ligand Functionalized Substrates SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-07-28 US disclosed