SCHEMBL2728191

SCHEMBL2728191

Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc(-c2nnc([C@@](C)(Cc3ccccc3)NC(=O)O)o2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
POLB P06746 1/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CPT1A P50416 8/20 0.34
CPT2 P23786 7/20 0.34
AADAT Q8N5Z0 1/20 0.34
NAA50 Q9GZZ1 1/20 0.34
PKM P14618 1/20 0.33
CPT1B Q92523 3/20 0.33
CPS1 P31327 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL6466775 0.94 ACACB (0.40) SMN1; SMN2TRPV1POLBACACBACACA
SCHEMBL2727033 0.94 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2726866 0.94 SMN1; SMN2 (0.37) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2727131 0.93 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2727845 0.93 CPT1A (0.39) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2728180 0.92 HCRTR1 (0.38) SMN1; SMN2TRPV1POLBHCRTR1HCRTR2
SCHEMBL2726162 0.92 SMN1; SMN2 (0.36) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2725533 0.92 SMN1; SMN2 (0.36) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2726767 0.92 TRPV1 (0.36) SMN1; SMN2TRPV1POLBCPT1ACPT2
SCHEMBL2726673 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1POLBCPT1ACPT2

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