SCHEMBL14948404

SCHEMBL14948404

CC[N+](CC)(CC)Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccc(C[N+](CC)(CC)CC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.39
TAAR1 Q96RJ0 2/20 0.37
CHRNA7 P36544 3/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CNR2 P34972 2/20 0.36
CYP1A2 P05177 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
CHKA P35790 4/20 0.33
BCL2 P10415 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL14948391 0.86 CHRNB2 (0.39) CCR5TAAR1CHRNA7CHRNB4CHRNA3
SCHEMBL14948388 0.84 ALDH1A1 (0.43) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12533849 0.80 BCL2 (0.50) TAAR1CYP1A2CHKABCL2
SCHEMBL17986879 0.80 BCL2 (0.50) TAAR1CYP1A2CHKABCL2
SCHEMBL14948323 0.79 POLB (0.38) TAAR1CNR2ACHEMEN1KMT2A
SCHEMBL4576079 0.78 SIGMAR1 (0.48) CYP1A2BCL2MEN1KMT2A
SCHEMBL1702238 0.78 SIGMAR1 (0.48) CYP1A2BCL2MEN1KMT2A
SCHEMBL12533859 0.77 LTB4R2 (0.40) TAAR1CNR2CYP1A2LTB4R2CHKA
SCHEMBL13580186 0.77 BCL2 (0.51) TAAR1CHKABCL2
SCHEMBL14948414 0.77 CHRNB2 (0.36) CCR5TAAR1CHRNA7CHRNB4CHRNA3

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