SCHEMBL4733593

SCHEMBL4733593

CCN(Cc1ccccc1)Cc1cc(NC(=O)C(C)(C)CC)ncc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
CNR1 P21554 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RIPK1 Q13546 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 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
SCHEMBL4783553 0.88 CNR2 (0.53) CNR2CNR1L3MBTL1NPC1RAB9A
SCHEMBL4734267 0.86 CNR2 (0.50) CNR2CNR1L3MBTL1NPC1RAB9A
SCHEMBL4732697 0.83 CNR2 (0.53) CNR2CNR1BCHEACHE
SCHEMBL4733798 0.79 CNR2 (0.45) CNR2CNR1L3MBTL1NPC1RAB9A
SCHEMBL4733693 0.79 CNR2 (0.53) CNR2CNR1MEN1KMT2A
SCHEMBL14207105 0.77 CNR2 (0.64) CNR2CNR1RIPK1
SCHEMBL4730715 0.75 CNR2 (0.52) CNR2CNR1RIPK1
SCHEMBL4730710 0.75 CNR2 (0.52) CNR2CNR1RIPK1
SCHEMBL4730818 0.74 CNR2 (0.61) CNR2CNR1
SCHEMBL4729966 0.74 CNR2 (0.41) CNR2CNR1NPC1RAB9AMEN1

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 3 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
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed