SCHEMBL13619458

SCHEMBL13619458

COc1cc(CNC(=O)C2CN(C(=O)O[C@@H]3CCC[C@@H](C)C3)C2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.48
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MAPK10 P53779 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
TP53 P04637 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
RAB9A P51151 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL42503 1.00 TRPV1 (0.48) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL11981735 1.00 TRPV1 (0.48) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL10104825 1.00 TRPV1 (0.48) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL42586 0.92 ACHE (0.52) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL41878 0.92 ACHE (0.52) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL41877 0.92 ACHE (0.52) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL42587 0.92 ACHE (0.52) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL41876 0.92 ACHE (0.52) TRPV1TSHRGAAMAPK10ACHE
SCHEMBL42742 0.89 TRPV1 (0.44) TRPV1ACHEBACE1ERCC1ERCC4
SCHEMBL38412 0.89 ERCC1 (0.44) TSHRGAAMAPK10ERCC1ERCC4

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-2009136625-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-11-12 WO disclosed