SCHEMBL5944461

SCHEMBL5944461

CCCCCCC[N+]1(c2ccccc2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
DNM1 Q05193 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5944550 1.00 NAAA (0.36) NAAANPC1RAB9ASIGMAR1CHRM2
SCHEMBL5944479 1.00 NAAA (0.36) NAAANPC1RAB9ASIGMAR1CHRM2
SCHEMBL5304182 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5303011 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5290907 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5295179 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5944468 0.98 NPC1 (0.36) NAAANPC1RAB9ASIGMAR1CHRM2
SCHEMBL5944599 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5294438 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2
SCHEMBL5305522 0.98 NAAA (0.37) NAAASIGMAR1EPHX1ALDH1A1CYP1A2

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-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed