SCHEMBL2725976

SCHEMBL2725976

Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@H](C)Cc4ccccc4)o3)nc(C3CC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
AADAT Q8N5Z0 4/20 0.34
CPT1A P50416 7/20 0.34
CPT2 P23786 6/20 0.34
PKM P14618 1/20 0.34
CPT1B Q92523 2/20 0.33
POLB P06746 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 1/20 0.33
NAA50 Q9GZZ1 1/20 0.33

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 0.94 TRPV1 (0.38) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6465338 0.91 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL2727050 0.91 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466854 0.91 KCNK3 (0.37) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466450 0.91 TRPV1 (0.36) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6466608 0.90 TRPV1 (0.36) TRPV1AADATCPT1ACPT2CPT1B
SCHEMBL6467766 0.90 SCD5 (0.35) TRPV1AADATCPT1ACPT2PKM
SCHEMBL10290648 0.90 HCRTR1 (0.39) TRPV1PKMHCRTR1HCRTR2
SCHEMBL6468060 0.89 TRPV1 (0.38) TRPV1AADATCPT1ACPT2PKM
SCHEMBL6468357 0.89 CPT1A (0.35) TRPV1AADATCPT1ACPT2PKM

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