SCHEMBL6466854

SCHEMBL6466854

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3ccn(C)n3)nc(-c3nnc([C@@H](C)Cc4ccccc4)o3)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.37
TRPV1 Q8NER1 2/20 0.35
AADAT Q8N5Z0 4/20 0.35
CPT1A P50416 7/20 0.34
CPT2 P23786 5/20 0.33
NAA50 Q9GZZ1 1/20 0.33
PKM P14618 1/20 0.33
CPT1B Q92523 2/20 0.32
POLB P06746 1/20 0.32
JMJD6 Q6NYC1 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 0.92 TRPV1 (0.38) TRPV1AADATCPT1ACPT2PKM
SCHEMBL2725976 0.91 TRPV1 (0.36) TRPV1AADATCPT1ACPT2NAA50
SCHEMBL2727050 0.90 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6465338 0.90 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466608 0.89 TRPV1 (0.36) TRPV1AADATCPT1ACPT2CPT1B
SCHEMBL6467766 0.89 SCD5 (0.35) KCNK3TRPV1AADATCPT1ACPT2
SCHEMBL6466450 0.89 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL10290648 0.88 HCRTR1 (0.39) TRPV1PKM
SCHEMBL6466456 0.87 ADAM17 (0.36) TRPV1PKM
SCHEMBL6468060 0.87 TRPV1 (0.38) KCNK3TRPV1AADATCPT1ACPT2

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