SCHEMBL6467766

SCHEMBL6467766

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@H](C)Cc4ccccc4)o3)nc(-c3ccnn3C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.35
PKM P14618 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
POLB P06746 1/20 0.33
AADAT Q8N5Z0 3/20 0.33
KCNK3 O14649 1/20 0.32
ROCK2 O75116 1/20 0.32
NAA50 Q9GZZ1 1/20 0.32
CPT2 P23786 3/20 0.32
CPT1A P50416 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL6466357 0.90 TRPV1 (0.38) PKMTRPV1HCRTR1HCRTR2POLB
SCHEMBL2725976 0.90 TRPV1 (0.36) PKMTRPV1HCRTR1HCRTR2POLB
SCHEMBL6466608 0.89 TRPV1 (0.36) TRPV1HCRTR1HCRTR2AADATCPT2
SCHEMBL6466854 0.89 KCNK3 (0.37) PKMTRPV1POLBAADATKCNK3
SCHEMBL10290648 0.89 HCRTR1 (0.39) PKMTRPV1HCRTR1HCRTR2
SCHEMBL6465338 0.88 TRPV1 (0.36) PKMTRPV1HCRTR1HCRTR2POLB
SCHEMBL2727050 0.88 TRPV1 (0.36) PKMTRPV1HCRTR1HCRTR2POLB
SCHEMBL6466450 0.88 TRPV1 (0.36) PKMTRPV1AADATCPT2CPT1A
SCHEMBL6466456 0.87 ADAM17 (0.36) PKMTRPV1HCRTR1HCRTR2
SCHEMBL6468060 0.86 TRPV1 (0.38) PKMTRPV1POLBAADATKCNK3

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