SCHEMBL7411045

SCHEMBL7411045

N[C@@H](Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@H](CCC(=O)O)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
CTSS P25774 3/20 0.45
GAA P10253 2/20 0.45
MASP2 O00187 1/20 0.45
F2 P00734 1/20 0.45
CTSL P07711 3/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CTSB P07858 2/20 0.43
FKBP1A P62942 1/20 0.42
MMP8 P22894 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
POLB P06746 2/20 0.41
TPH1 P17752 1/20 0.40

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
SCHEMBL7379877 0.87 ACACB (0.42) ACACBCTSSGAAMASP2F2
SCHEMBL7595864 0.82 CTSB (0.49) ACACBCTSSGAAMASP2F2
SCHEMBL7414219 0.82 CTSB (0.49) ACACBCTSSGAAMASP2F2
SCHEMBL7354030 0.81 CTSL (0.59) ACACBCTSSGAAMASP2F2
SCHEMBL8159873 0.80 CTSB (0.48) ACACBCTSSGAAMASP2F2
SCHEMBL7411037 0.80 CTSS (0.69) CTSSCTSLCTSB
SCHEMBL7411052 0.80 CTSS (0.69) CTSSCTSLCTSB
SCHEMBL7411039 0.80 CTSS (0.69) CTSSCTSLCTSB
SCHEMBL7400381 0.77 CTSL (0.50) ACACBCTSSGAAMASP2F2
SCHEMBL7411057 0.76 CTSC (0.37) TSHRPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed