SCHEMBL10290648

SCHEMBL10290648

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@H](C)Cc4ccccc4)o3)nc(-n3nccn3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.39
HCRTR2 O43614 17/20 0.39
TRPV1 Q8NER1 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL6466450 0.92 TRPV1 (0.36) TRPV1PKM
SCHEMBL6466357 0.92 TRPV1 (0.38) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6466456 0.91 ADAM17 (0.36) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6465338 0.90 TRPV1 (0.36) HCRTR1HCRTR2TRPV1PKM
SCHEMBL2727050 0.90 TRPV1 (0.36) HCRTR1HCRTR2TRPV1PKM
SCHEMBL2725976 0.90 TRPV1 (0.36) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6467817 0.89 TRPV1 (0.35) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6467766 0.89 SCD5 (0.35) HCRTR1HCRTR2TRPV1PKM
SCHEMBL6466608 0.88 TRPV1 (0.36) HCRTR1HCRTR2TRPV1
SCHEMBL6466854 0.88 KCNK3 (0.37) TRPV1PKM

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