SCHEMBL14948342

SCHEMBL14948342

CC[N+](CC)(CC)Cc1cc(N(c2ccccc2)c2ccc(C)cc2)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.32
APP P05067 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL14948340 0.88 TAAR1 (0.30) TAAR1
SCHEMBL14948447 0.80 CYP2C19 (0.39) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL13699887 0.77 ALDH1A1 (0.42) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL19320270 0.76 TAAR1 (0.38) CYP2C19TDP1ALDH1A1MAPTMEN1
SCHEMBL2308261 0.76 ALDH1A1 (0.43) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL14981535 0.76 TAAR1 (0.38) CYP2C19TDP1ALDH1A1MAPTMEN1
SCHEMBL14948414 0.75 CHRNB2 (0.36) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL16574302 0.74 L3MBTL1 (0.39) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL14163845 0.73 ALDH1A1 (0.48) CYP2C19TDP1KDM4EALDH1A1CYP1A2
SCHEMBL2744087 0.73 ALDH1A1 (0.48) CYP2C19TDP1KDM4EALDH1A1CYP1A2

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
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed