SCHEMBL6467555

SCHEMBL6467555

Cc1cc(C(=O)NN)cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
POLB P06746 1/20 0.40
BAZ2A Q9UIF9 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPC3 Q13507 2/20 0.37
TRPC6 Q9Y210 2/20 0.37
NAA50 Q9GZZ1 2/20 0.36
KLKB1 P03952 1/20 0.36
TRPA1 O75762 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 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
SCHEMBL10289968 0.92 TRPV1 (0.39) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL27901455 0.89 TRPV1 (0.41) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL166998 0.87 TRPV1 (0.43) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL166997 0.87 TRPV1 (0.43) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL166241 0.87 TRPV1 (0.42) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL166240 0.87 TRPV1 (0.42) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL6466071 0.85 POLB (0.38) TRPV1POLBBAZ2ATSHRSMN1; SMN2
SCHEMBL2710768 0.85 GRM5 (0.44) TRPV1
SCHEMBL10291020 0.85 GRM5 (0.44) TRPV1
SCHEMBL2726428 0.84 NAA50 (0.39) TRPV1POLBBAZ2ATSHRSMN1; SMN2

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