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SCHEMBL6468514

SCHEMBL6468514

C=S(=C)(C)N(C)c1cc(C(=O)N2CCCC2c2nc(C)cs2)cc(-c2nnc(C(C)Cc3ccccc3)o2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.34
▸ CPT1A P50416 8/20 0.32
▸ CPT2 P23786 7/20 0.32
▸ CPT1B Q92523 3/20 0.32
▸ CPS1 P31327 1/20 0.32
▸ AADAT Q8N5Z0 4/20 0.32
▸ PKM P14618 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL6466217 0.94 BACE1 (0.36) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL2728770 0.94 BACE1 (0.36) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL6468793 0.91 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL6466357 0.89 TRPV1 (0.38) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6468329 0.89 TRPV1 (0.35) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL6468856 0.88 BACE1 (0.34) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL6466361 0.88 TRPV1 (0.34) TRPV1CPT1ACPT2CPT1BCPS1
SCHEMBL2725976 0.87 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL6465338 0.87 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT
SCHEMBL2727050 0.87 TRPV1 (0.36) TRPV1CPT1ACPT2CPT1BAADAT

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