SCHEMBL5367237

SCHEMBL5367237

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.48
▸ CCKBR P32239 6/20 0.45
▸ CTSL P07711 3/20 0.44
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 3/20 0.44
▸ GCGR P47871 5/20 0.44
▸ GIPR P48546 5/20 0.44
▸ GLP1R P43220 4/20 0.44
▸ CTSH P09668 1/20 0.44
▸ GRPR P30550 2/20 0.43
▸ NMBR P28336 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CASP10 Q92851 1/20 0.42

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
SCHEMBL5384108 0.97 CXCR4 (0.47) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5367232 0.96 CXCR4 (0.46) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5384105 0.94 CXCR4 (0.45) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5372281 0.94 CXCR4 (0.45) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5369685 0.93 CXCR4 (0.45) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5372278 0.91 CCKBR (0.43) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL5367479 0.89 F2 (0.42) GCGRGIPRGLP1R
SCHEMBL5367473 0.85 PTPN1 (0.41) —
SCHEMBL31191396 0.83 CXCR4 (0.50) CXCR4CCKBRCTSLCTSSCTSK
SCHEMBL29800522 0.82 CXCR4 (0.51) CXCR4CCKBRCTSLCTSSCTSK

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-7169892-B2 Lipid-peptide-polymer conjugates for long blood circulation and tumor specific drug delivery systems ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
EP-1591450-A1 CONJUGATE FOR RETENTION IN BLOOD AND CANCER TISSUE-SPECIFIC DRUG DELIVERY YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-11-02 — — EP disclosed
US-20050054026-A1 Lipid-peptide-polymer conjugates for long blood circulation and tumor specific drug delivery systems YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-03-10 — — US disclosed
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