SCHEMBL4597819

SCHEMBL4597819

Cc1cccc([C@H](O)CNC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
BCHE P06276 1/20 0.45
USP30 Q70CQ3 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 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
SCHEMBL4597915 0.89 STS (0.52) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL6498471 0.88 KDM4E (0.55) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL22467690 0.88 KDM4E (0.55) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL21074855 0.88 KDM4E (0.55) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL5576460 0.82 GPR119 (0.54) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL3758709 0.81 GPR119 (0.57) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL13991761 0.79 USP30 (0.46) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL6284531 0.78 ALDH1A1 (0.51) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL4916071 0.78 ALDH1A1 (0.47) GPR119MAPTALDH1A1NPC1MAPK1
SCHEMBL4916078 0.78 ALDH1A1 (0.47) GPR119MAPTALDH1A1NPC1MAPK1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed