SCHEMBL20569246

SCHEMBL20569246

Nc1nccn1CCCc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.53
ARG1 P05089 1/20 0.44
KCNH2 Q12809 2/20 0.42
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL20569778 0.95 TLR8 (0.55) TLR8ARG1KCNH2FLT1KDR
SCHEMBL6639388 0.90 TLR8 (0.47) TLR8ARG1KCNH2FLT1KDR
SCHEMBL20569455 0.82 KCNH2 (0.49) TLR8KCNH2BRD4
SCHEMBL7508654 0.82 MEN1 (0.51) TLR8KCNH2MEN1ALDH1A1CYP1A2
SCHEMBL20570323 0.79 KCNH2 (0.49) KCNH2FLT1KDRMEN1ALDH1A1
SCHEMBL20570174 0.79 KCNH2 (0.40) KCNH2
SCHEMBL20570010 0.78 BRD4 (0.41) FLT1KDRMEN1ALDH1A1CYP1A2
SCHEMBL20572275 0.78 KCNH2 (0.50) KCNH2CYP2D6CYP2C19
SCHEMBL20568998 0.77 FLT1 (0.53) FLT1KDR
SCHEMBL27658200 0.76 TLR8 (0.67) TLR8ARG1KCNH2ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed