SCHEMBL6468060

SCHEMBL6468060

CCNc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@H](C)Cc3ccccc3)o2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
AADAT Q8N5Z0 6/20 0.34
POLB P06746 1/20 0.33
CPT1A P50416 4/20 0.33
CPT2 P23786 3/20 0.33
KCNK3 O14649 1/20 0.33
NAA50 Q9GZZ1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CPT1B Q92523 1/20 0.32
CPS1 P31327 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
SCHEMBL10290111 0.92 TRPV1 (0.36) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL6466357 0.91 TRPV1 (0.38) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL6465338 0.89 TRPV1 (0.36) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL2727050 0.89 TRPV1 (0.36) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL2725976 0.89 TRPV1 (0.36) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL6466450 0.88 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6468357 0.88 CPT1A (0.35) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466854 0.87 KCNK3 (0.37) TRPV1AADATPOLBCPT1ACPT2
SCHEMBL10290648 0.87 HCRTR1 (0.39) TRPV1PKM
SCHEMBL6468793 0.86 TRPV1 (0.35) TRPV1AADATPOLBCPT1ACPT2

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