SCHEMBL5372278

SCHEMBL5372278

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)O.C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 5/20 0.43
▸ CXCR4 P61073 6/20 0.43
▸ CTSL P07711 3/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CTSH P09668 1/20 0.41
▸ GLP1R P43220 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ GIPR P48546 1/20 0.41
▸ DPP3 Q9NY33 3/20 0.41
▸ CCKAR P32238 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 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
SCHEMBL5372281 0.97 CXCR4 (0.45) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5384105 0.94 CXCR4 (0.45) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5367232 0.93 CXCR4 (0.46) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5384108 0.92 CXCR4 (0.47) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5367237 0.91 CXCR4 (0.48) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5369685 0.90 CXCR4 (0.45) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5367473 0.81 PTPN1 (0.41) —
SCHEMBL31191396 0.79 CXCR4 (0.50) CCKBRCXCR4CTSLCTSSCTSK
SCHEMBL5367479 0.79 F2 (0.42) GLP1RGCGRGIPR
SCHEMBL31174195 0.78 PCSK9 (0.50) CCKBRCTSKCCKAR

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-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
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