SCHEMBL14948491

SCHEMBL14948491

CC[N+](CC)(CC)CCCCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
TAAR1 Q96RJ0 3/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
DNM1 Q05193 4/20 0.37
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
CHRNA7 P36544 2/20 0.35
HTR2A P28223 2/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35

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
SCHEMBL5017885 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
SCHEMBL16026044 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
SCHEMBL13321987 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
SCHEMBL29980387 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
SCHEMBL14951112 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
SCHEMBL14227373 0.82 ESR1 (0.53) KCNH2TAAR1LMNAHIF1ACYP2D6
Hydrochloric Acid SCHEMBL9672440 0.81 KCNH2 (0.66) KCNH2LMNAHIF1ACYP2D6CYP2C9
Iodide SCHEMBL9671951 0.81 KCNH2 (0.66) KCNH2LMNAHIF1ACYP2D6CYP2C9
Iodide SCHEMBL9671227 0.81 KCNH2 (0.66) KCNH2LMNAHIF1ACYP2D6CYP2C9
Iodide SCHEMBL9671839 0.81 KCNH2 (0.66) KCNH2LMNAHIF1ACYP2D6CYP2C9

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