SCHEMBL12836240

SCHEMBL12836240

N=C(N)NCCCC[C@H](NC(=O)CCSSCC(NC=O)C(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.49
▸ CCKBR P32239 10/20 0.48
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CCKAR P32238 1/20 0.47
▸ CXCR4 P61073 2/20 0.46

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
SCHEMBL14155159 0.81 CXCR4 (0.56) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL1518999 0.79 CXCR4 (0.60) IL23RCCKBRCTSLCTSSCTSK
SCHEMBL608319 0.77 CXCR4 (0.52) IL23RCCKBRCTSLCTSSCTSK
SCHEMBL29791638 0.75 NPBWR1 (0.60) IL23RCCKBRCCKARCXCR4
SCHEMBL29791696 0.74 CCKBR (0.53) IL23RCCKBRCCKARCXCR4
SCHEMBL16161422 0.74 CCKAR (0.54) IL23RCCKBRCCKARCXCR4
SCHEMBL30129802 0.74 CCKAR (0.54) IL23RCCKBRCCKARCXCR4
SCHEMBL31190178 0.73 PRMT1 (0.54) IL23RCCKBRCCKARCXCR4
SCHEMBL31252821 0.73 CXCR4 (0.61) CCKBRCTSLCTSSCTSKCTSH
SCHEMBL8410913 0.73 EPHX2 (0.59) CCKBR

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
US-7897724-B2 Solid phase Fmoc chemistry process to prepare peptides USV, LTD. (IN) 2011-03-01 — — US disclosed
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