SCHEMBL6466400

SCHEMBL6466400

Cc1csc(C2CCCN2C(=O)c2cc(Cl)nc(C(=O)O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
POLB P06746 1/20 0.38
NAA50 Q9GZZ1 2/20 0.38
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
CPT1A P50416 6/20 0.37
CPT2 P23786 4/20 0.37
CPT1B Q92523 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL2726110 1.00 TRPV1 (0.39) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL2725916 0.89 CPT1A (0.41) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL6464569 0.89 CPT1A (0.41) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL6468509 0.85 TRPV1 (0.40) TRPV1POLBNAA50BAZ2ACPT1A
SCHEMBL166997 0.83 TRPV1 (0.43) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL166998 0.83 TRPV1 (0.43) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL2726334 0.83 HCRTR1 (0.36) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL2713636 0.81 TRPV1 (0.40) TRPV1POLBNAA50TRPC3TRPC6
SCHEMBL475428 0.81 TRPV1 (0.45) TRPV1POLBNAA50BAZ2ACPT1A
SCHEMBL7872430 0.81 TRPV1 (0.45) TRPV1POLBNAA50BAZ2ACPT1A

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