SCHEMBL6167867

SCHEMBL6167867

CCCCOC(=O)ON1CCCCC1c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 15/20 0.38
CPT2 P23786 11/20 0.37
DAGLA Q9Y4D2 2/20 0.36
CPT1B Q92523 4/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RY12 Q9H244 2/20 0.34

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
SCHEMBL6166805 0.91 TRPV1 (0.35) CPT1ACPT2L3MBTL1
SCHEMBL6169344 0.85 DAGLA (0.41) CPT1ACPT2DAGLACPT1BP2RY12
SCHEMBL6167911 0.83 L3MBTL1 (0.37) GAAL3MBTL1P2RY12
SCHEMBL6166739 0.81 CHRM2 (0.37) L3MBTL1P2RY12
SCHEMBL6166994 0.77 KDM4E (0.46) P2RY12
SCHEMBL6167984 0.76 P2RY12 (0.44) P2RY12
SCHEMBL6166634 0.76 ALDH1A1 (0.40) CPT1AL3MBTL1
SCHEMBL26989028 0.76 NPC1 (0.46) CPT1ACPT2
SCHEMBL6166850 0.75 HRH2 (0.35) L3MBTL1
SCHEMBL6167855 0.74 CPT1A (0.43) CPT1ACPT2DAGLACPT1B

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
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed