SCHEMBL4735161

SCHEMBL4735161

CCC(C)(C)C(=O)Nc1cc(Cc2ccccc2)c(C)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RIPK1 Q13546 6/20 0.46
CNR2 P34972 5/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 2/20 0.40
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4784207 0.83 L3MBTL1 (0.44) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL4731511 0.78 L3MBTL1 (0.42) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL4783898 0.77 CNR2 (0.46) RAB9ANPC1L3MBTL1CNR2LMNA
SCHEMBL4732956 0.74 LMNA (0.40) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL4731606 0.73 CNR2 (0.70) CNR2CNR1
SCHEMBL4730468 0.73 CNR2 (0.43) RAB9ANPC1L3MBTL1CNR2LMNA
SCHEMBL4733945 0.73 CNR2 (0.43) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL14206941 0.72 CNR2 (0.42) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL14207102 0.72 CNR2 (0.44) RAB9ANPC1L3MBTL1RIPK1CNR2
SCHEMBL4733265 0.70 CNR2 (0.46) RAB9ANPC1L3MBTL1RIPK1CNR2

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