SCHEMBL14149062

SCHEMBL14149062

Cc1ccncc1C(=O)N1CC[C@H](c2ccccc2)[C@H]2CCCC[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SIRT3 Q9NTG7 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PRMT5 O14744 3/20 0.37
WDR77 Q9BQA1 3/20 0.37
TP53 P04637 1/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL14149327 0.87 CNR2 (0.42) CNR2L3MBTL1TDP1CNR1KDM4E
SCHEMBL14149325 0.85 CNR2 (0.44) CNR2L3MBTL1TDP1CNR1KDM4E
SCHEMBL14149123 0.85 CNR2 (0.58) CNR2L3MBTL1TDP1CNR1KDM4E
SCHEMBL14149106 0.82 KDM4E (0.46) CNR2L3MBTL1CNR1KDM4E
SCHEMBL14149330 0.81 HCRTR1 (0.39) CNR2TDP1GPBAR1CNR1KDM4E
SCHEMBL14149026 0.81 L3MBTL1 (0.53) CNR2L3MBTL1TDP1KDM4EMEN1
SCHEMBL14149117 0.81 GAA (0.46) CNR2TP53MEN1ALDH1A1KMT2A
SCHEMBL14148971 0.80 RPS6KB1 (0.39) CNR2CNR1CCNCCDK8
SCHEMBL14149292 0.80 PREP (0.41) CNR2CNR1
SCHEMBL14148881 0.80 RPS6KB1 (0.40) CNR2TDP1KDM4EMEN1ALDH1A1

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-2008088744-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed