SCHEMBL6461813

SCHEMBL6461813

CC(C)CCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCC23CC4CC(CC(C4)C2)C3)co1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.40
CTSL P07711 1/20 0.40
DAGLA Q9Y4D2 3/20 0.37
EPHX2 P34913 3/20 0.36
ABCB11 O95342 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL7047180 0.91 P2RX7 (0.37) P2RX7CTSLDAGLAEPHX2ABCB11
SCHEMBL6461816 0.85 DAGLA (0.42) DAGLAEPHX2EPHX1
SCHEMBL6467199 0.84 DAGLA (0.41) DAGLAEPHX2
SCHEMBL7567535 0.84 DAGLA (0.43) DAGLA
SCHEMBL7047182 0.77 DAGLA (0.39) DAGLAEPHX2EPHX1
SCHEMBL7558531 0.77 DAGLA (0.39) DAGLA
SCHEMBL6467926 0.75 DAGLA (0.44) DAGLA
SCHEMBL7047979 0.73 TBXA2R (0.41) DAGLA
SCHEMBL7044843 0.73 L3MBTL1 (0.39) DAGLAEPHX2
SCHEMBL7186571 0.72 MASP2 (0.38) DAGLA

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