SCHEMBL4784207

SCHEMBL4784207

CCC(C)(C)C(=O)Nc1cc(OCc2ccccc2)c(C)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RIPK1 Q13546 1/20 0.43
PTGER1 P34995 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
BRD4 O60885 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL4735161 0.83 RAB9A (0.46) L3MBTL1NPC1RAB9ARIPK1HTT
SCHEMBL14207113 0.81 CNR2 (0.41) NPC1RAB9ASMN1; SMN2CNR2MAPT
SCHEMBL4732528 0.76 CNR2 (0.39) L3MBTL1NPC1RAB9ACNR2MEN1
SCHEMBL4732956 0.74 LMNA (0.40) L3MBTL1NPC1RAB9ARIPK1ADORA1
SCHEMBL4783898 0.74 CNR2 (0.46) L3MBTL1NPC1RAB9ABRD4HTT
SCHEMBL4730468 0.72 CNR2 (0.43) L3MBTL1NPC1RAB9ACNR2KDM4E
SCHEMBL4784212 0.72 SMN1; SMN2 (0.44) L3MBTL1PTGER1SMN1; SMN2BRD4STAT3
SCHEMBL4731511 0.71 L3MBTL1 (0.42) L3MBTL1NPC1RAB9ARIPK1HTT
SCHEMBL4781292 0.69 HTT (0.54) L3MBTL1SMN1; SMN2BRD4STAT3HTT
SCHEMBL4733265 0.68 CNR2 (0.46) L3MBTL1NPC1RAB9ARIPK1BRD4

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-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed