SCHEMBL6467342

SCHEMBL6467342

NC(=O)C(C(=O)O)[C@H](CC1CCCCC1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.41
FAAH O00519 2/20 0.41
CES1 P23141 1/20 0.41
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
XDH P47989 2/20 0.36
CTSS P25774 2/20 0.36
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6466348 0.81 FAAH (0.43) DAGLAFAAHCES1MMP1MMP2
SCHEMBL6467344 0.77 PRSS8 (0.45) DAGLAFAAHCES1MMP1MMP2
Hydrochloric Acid SCHEMBL7114461 0.77 CTSS (0.44) DAGLAFAAHCES1MMP1MMP2
SCHEMBL6063084 0.77 CTSS (0.53) DAGLAFAAHCES1MMP1MMP2
SCHEMBL7047588 0.76 FAAH (0.39) DAGLAFAAHCES1MMP1MMP2
SCHEMBL7048552 0.76 CTSS (0.39) DAGLAFAAHCES1MMP1MMP2
SCHEMBL6468626 0.76 CTSS (0.44) DAGLAFAAHCES1MMP1MMP2
SCHEMBL6463414 0.76 CTSS (0.44) DAGLAFAAHCES1MMP1MMP2
SCHEMBL6463072 0.74 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL6467484 0.73 DAGLA (0.39) DAGLAFAAHCES1PPARGPPARA

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed