SCHEMBL13255677

SCHEMBL13255677

C=C(C(C)C)[C@H](N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
HPGD P15428 1/20 0.38
AOC3 Q16853 1/20 0.38
NOS2 P35228 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
SCHEMBL8201163 0.77 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL16838683 0.77 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL5975716 0.77 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8643386 0.77 DPP4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12729962 0.77 DPP4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL13255670 0.76 HPGD (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2756152 0.76 HPGD (0.53) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL3262994 0.75 DPP4 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12937983 0.74 LMNA (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL16488395 0.74 LMNA (0.45) ADRA2AADRA2CLMNAHIF1AKDM4E

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-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed