SCHEMBL5570756

SCHEMBL5570756

N#[N+]c1ccccc1CN

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
DPP4 P27487 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.35
TAAR1 Q96RJ0 7/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2232772 0.82 TAAR1 (0.50) LOXL2TAAR1CYP2A6HTR2ACYP1A2
SCHEMBL28016678 0.78 PNMT (0.35) PNMTDPP4
SCHEMBL27890793 0.76 ALDH1A1 (0.38) PNMT
SCHEMBL17718234 0.76 APOBEC3G (0.43) CYP2A6CYP1A2CYP2C9CYP2C19
SCHEMBL10032963 0.76 PNMT (0.44) PNMTDPP4LOXL2TAAR1SLC6A2
SCHEMBL13824617 0.76 MGLL (0.47) CYP2D6
SCHEMBL1583827 0.73 CYP4F2 (0.33)
SCHEMBL5084643 0.73 TDP1 (0.39) TAAR1
SCHEMBL29405036 0.73 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL15247 0.73 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6

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-1750859-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION Elkos, Inc. (US) 2007-02-14 EP disclosed
WO-2006078286-A2 PATTERNING CARBON NANOTUBE COATINGS BY SELECTIVE CHEMICAL MODIFICATION EIKOS, INC. (US) 2006-07-27 WO disclosed