SCHEMBL5573504

SCHEMBL5573504

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N(CC(=O)O)C(=O)c1ccon1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.34
METAP1 P53582 3/20 0.34
CIT O14578 2/20 0.34
AAK1 Q2M2I8 2/20 0.33
CTSC P53634 1/20 0.32
F2 P00734 1/20 0.30
F2RL1 P55085 1/20 0.30
CTSS P25774 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL1449532 0.74 AAK1 (0.35) METAP2METAP1CITAAK1CTSC
SCHEMBL2492378 0.73 CTSS (0.37) CTSSCTSLCTSK
SCHEMBL23750067 0.65 METAP2 (0.42) METAP2METAP1CTSK
SCHEMBL13073340 0.62 EPHX2 (0.61)
SCHEMBL7144493 0.62 EPHX2 (0.61)
SCHEMBL7358712 0.62 EPHX2 (0.61)
SCHEMBL6803053 0.61 MAPT (0.42) METAP2METAP1CTSSCTSLCTSB
SCHEMBL5842745 0.60 METAP2 (0.48) METAP2METAP1CIT
SCHEMBL5843085 0.60 METAP2 (0.48) METAP2METAP1CIT
SCHEMBL29533696 0.59 GLO1 (0.43) CTSSCTSK

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-1845104-A1 PAR-2 AGONIST Kowa Company. Ltd. (JP) 2007-10-17 EP disclosed