SCHEMBL4783553

SCHEMBL4783553

CCC(C)(C)C(=O)Nc1cc(CN(C)Cc2ccccc2)c(C)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.53
CNR1 P21554 3/20 0.53
RIPK1 Q13546 3/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL4733593 0.88 CNR2 (0.52) CNR2CNR1RIPK1RAB9ANPC1
SCHEMBL4733798 0.88 CNR2 (0.45) CNR2CNR1RIPK1RAB9ANPC1
SCHEMBL4734267 0.87 CNR2 (0.50) CNR2CNR1RIPK1RAB9ANPC1
SCHEMBL4729966 0.85 CNR2 (0.41) CNR2CNR1RAB9ANPC1KDM4E
SCHEMBL4732445 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL14207105 0.78 CNR2 (0.64) CNR2CNR1RIPK1
SCHEMBL4732697 0.77 CNR2 (0.53) CNR2CNR1BCHEACHE
SCHEMBL4729994 0.77 CNR2 (0.69) CNR2CNR1RIPK1
SCHEMBL4730710 0.76 CNR2 (0.52) CNR2CNR1RIPK1TSHR
SCHEMBL4730715 0.76 CNR2 (0.52) CNR2CNR1RIPK1TSHR

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