SCHEMBL27733447

SCHEMBL27733447

[CH2]c1ccnc2cc(OC)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
FERMT2 Q96AC1 1/20 0.52
TLR8 Q9NR97 1/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
COQ8A Q8NI60 1/20 0.50
NLK Q9UBE8 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
KCNH2 Q12809 1/20 0.45
GRM4 Q14833 1/20 0.45
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6215190 0.86 KDM4E (0.59) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL8145365 0.81 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL14243022 0.81 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2997568 0.80 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15836948 0.79 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL704734 0.79 TLR8 (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL201122 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL3841526 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2996402 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL29362202 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2

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
CN-101248059-A Substituted amide derivatives as protein kinase inhibitors AMGEN INC (US) 2008-08-20 CN disclosed