SCHEMBL14948414

SCHEMBL14948414

CC[N+](CC)(CC)Cc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
DPP4 P27487 1/20 0.31
CCR5 P51681 2/20 0.31
CHKA P35790 3/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL14948404 0.77 CCR5 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14948342 0.75 CYP2C19 (0.36) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20484439 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20558789 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20582563 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL24079326 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20620409 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20620655 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20620649 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL20620705 0.74 L3MBTL1 (0.43) CYP1A2KDM4EALDH1A1CYP3A4CYP2D6

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