SCHEMBL4733693

SCHEMBL4733693

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.53
CNR1 P21554 4/20 0.53
FTO Q9C0B1 1/20 0.34
ABL1 P00519 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4732445 0.90 CNR2 (0.53) CNR2CNR1ABL1PDCD1CD274
SCHEMBL4732697 0.83 CNR2 (0.53) CNR2CNR1ABL1
SCHEMBL4733593 0.79 CNR2 (0.52) CNR2CNR1MEN1KMT2A
SCHEMBL14206962 0.79 CNR2 (0.45) CNR2CNR1PDCD1CD274MEN1
SCHEMBL14207105 0.79 CNR2 (0.64) CNR2CNR1
SCHEMBL14314466 0.76 CNR2 (0.59) CNR2CNR1ABL1
SCHEMBL4781327 0.76 CNR2 (0.60) CNR2CNR1
SCHEMBL4783553 0.75 CNR2 (0.53) CNR2CNR1MEN1KMT2AHSD17B10
SCHEMBL4731505 0.75 CNR2 (0.59) CNR2CNR1
SCHEMBL4730502 0.74 CNR2 (0.53) CNR2CNR1MEN1KMT2AHPGD

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