SCHEMBL6466401

SCHEMBL6466401

Cc1csc([C@H]2CCCN2C(=O)c2cc(I)cc(C(=O)O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
NAA50 Q9GZZ1 2/20 0.40
CPT1A P50416 3/20 0.39
CPT2 P23786 2/20 0.39
POLB P06746 1/20 0.39
CPT1B Q92523 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM5 P41594 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2713636 1.00 TRPV1 (0.40) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL166997 0.91 TRPV1 (0.43) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL166998 0.91 TRPV1 (0.43) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL7872430 0.89 TRPV1 (0.45) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL6466508 0.89 TRPV1 (0.40) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL475428 0.89 TRPV1 (0.45) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL6468509 0.89 TRPV1 (0.40) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL6464489 0.89 POLB (0.39) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL475798 0.87 CPT1A (0.40) TRPV1NAA50CPT1ACPT2POLB
SCHEMBL2727219 0.87 CPT1A (0.49) TRPV1NAA50CPT1ACPT2POLB

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