SCHEMBL8650822

SCHEMBL8650822

CC(C)(C)OC(=O)N[C@](C#N)(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.62
CTSS P25774 1/20 0.62
CTSK P43235 1/20 0.62
TACR1 P25103 4/20 0.52
MAPT P10636 5/20 0.49
ACE P12821 1/20 0.49
TP53 P04637 1/20 0.49
SSTR3 P32745 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P4HB P07237 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
TACR3 P29371 1/20 0.44
SCN9A Q15858 1/20 0.44
KLK7 P49862 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3020294 0.83 CTSL (0.59) CTSLCTSSCTSKTACR1MAPT
SCHEMBL3020291 0.83 CTSL (0.59) CTSLCTSSCTSKTACR1MAPT
SCHEMBL9016089 0.83 CTSL (0.59) CTSLCTSSCTSKTACR1MAPT
SCHEMBL8651829 0.82 CTSL (0.58) CTSLCTSSCTSKTACR1MAPT
SCHEMBL8650748 0.81 CTSL (0.57) CTSLCTSSCTSKTACR1MAPT
SCHEMBL2193454 0.80 CTSL (0.55) CTSLCTSSCTSKTACR1MAPT
SCHEMBL9270557 0.80 CTSL (0.55) CTSLCTSSCTSKTACR1MAPT
SCHEMBL21243777 0.79 CTSS (0.51) CTSLCTSSCTSK
SCHEMBL21243779 0.79 CTSS (0.51) CTSLCTSSCTSK
SCHEMBL16694906 0.77 TACR1 (0.56) CTSLCTSSCTSKTACR1MAPT

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
EP-0632052-B1 Endothelin antagonistic peptides BANYU PHARMA CO LTD (JP) 1998-09-30 EP disclosed