SCHEMBL5302183

SCHEMBL5302183

CCc1cc[n+](CCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
CHRNA7 P36544 2/20 0.47
CHRNA10 Q9GZZ6 2/20 0.47
CHRNA9 Q9UGM1 2/20 0.47
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5299930 0.90 CHRNA7 (0.46) TP53CHRNA7CHRNA10CHRNA9CHRM2
SCHEMBL5299765 0.90 CHRM2 (0.48) TP53CHRNA7CHRNA10CHRNA9CHRM2
SCHEMBL5292692 0.89 KCNH2 (0.53) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5815089 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5291693 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5817694 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5293934 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5304743 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5296479 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1
SCHEMBL5819151 0.87 KCNH2 (0.56) TP53CHRM2HTR1AADRA2ACHRM1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed