SCHEMBL6468329

SCHEMBL6468329

C=NN(N)c1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@H](C)Cc3ccccc3)o2)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
AADAT Q8N5Z0 4/20 0.32
CPT1A P50416 8/20 0.31
CPT2 P23786 7/20 0.31
PKM P14618 1/20 0.31
CPT1B Q92523 2/20 0.31
CPS1 P31327 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6466361 0.91 TRPV1 (0.34) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6468793 0.91 TRPV1 (0.35) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6468514 0.89 TRPV1 (0.34) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466357 0.89 TRPV1 (0.38) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466217 0.88 BACE1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL2728770 0.88 BACE1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL2725976 0.87 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6465338 0.87 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL2727050 0.87 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6468856 0.86 BACE1 (0.34) TRPV1AADATCPT1ACPT2CPT1B

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