SCHEMBL5367232

SCHEMBL5367232

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)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 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 3/20 0.46
▸ CTSL P07711 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSH P09668 1/20 0.44
▸ CCKBR P32239 6/20 0.43
▸ GLP1R P43220 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ GIPR P48546 1/20 0.42
▸ CXCL8 P10145 4/20 0.41
▸ F13A1 P00488 2/20 0.41
▸ TGM2 P21980 2/20 0.41

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
SCHEMBL5384105 0.97 CXCR4 (0.45) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5369685 0.96 CXCR4 (0.45) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5367237 0.96 CXCR4 (0.48) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5384108 0.94 CXCR4 (0.47) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5372278 0.93 CCKBR (0.43) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5372281 0.90 CXCR4 (0.45) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL5367473 0.89 PTPN1 (0.41) —
SCHEMBL5367479 0.85 F2 (0.42) GLP1RGCGRGIPR
SCHEMBL31191396 0.79 CXCR4 (0.50) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29800522 0.78 CXCR4 (0.51) CXCR4CTSLCTSSCTSKCCKBR

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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