SCHEMBL5294595

SCHEMBL5294595

CCCCCN1C=CN(CC)C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
TLR8 Q9NR97 2/20 0.35
HTT P42858 1/20 0.35
SLC9A1 P19634 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL5297100 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5304450 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5816818 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5814104 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5290392 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5293216 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5284613 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5282361 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5813961 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5291030 0.98 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19

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