SCHEMBL6467926

SCHEMBL6467926

CC(C)CCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccco2)co1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.44
CES1 P23141 1/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.32
POLB P06746 2/20 0.32
RECQL P46063 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7049295 0.90 DAGLA (0.41) DAGLACES1KMT2AMAPT
SCHEMBL7567535 0.83 DAGLA (0.43) DAGLACES1KMT2ALMNAPKM
SCHEMBL6461816 0.80 DAGLA (0.42) DAGLACES1ALDH1A1NPSR1MAPT
SCHEMBL6467199 0.80 DAGLA (0.41) DAGLACES1LMNAGAAPKM
SCHEMBL6475177 0.77 DAGLA (0.47) DAGLACES1KMT2AKDM4E
SCHEMBL6466207 0.76 DAGLA (0.46) DAGLACES1
SCHEMBL6461813 0.75 P2RX7 (0.40) DAGLA
SCHEMBL6467249 0.75 TRPV1 (0.51) DAGLACES1GAA
SCHEMBL6475520 0.74 DAGLA (0.50) DAGLACES1
SCHEMBL7558531 0.73 DAGLA (0.39) DAGLAKMT2APOLBLMNAGAA

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