SCHEMBL6468341

SCHEMBL6468341

CCNc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(C(=O)NN)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.38
BAZ2A Q9UIF9 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
GRM5 P41594 3/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
NAA50 Q9GZZ1 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KLKB1 P03952 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6468193 0.89 CPT1A (0.40) TRPV1BAZ2APOLBTSHRKDM4E
SCHEMBL6466071 0.87 POLB (0.38) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL2726629 0.85 TRPV1 (0.39) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL10290632 0.85 TRPV1 (0.39) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL2725310 0.85 TSHR (0.37) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL2712515 0.85 POLB (0.36) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL10290106 0.85 TSHR (0.37) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL2726312 0.83 POLB (0.40) TRPV1BAZ2APOLBTSHRGRM5
SCHEMBL6467555 0.82 TRPV1 (0.41) TRPV1BAZ2APOLBTSHRKDM4E
SCHEMBL6467742 0.82 BAZ2A (0.36) TRPV1BAZ2APOLBTSHRGRM5

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed