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SCHEMBL20493787

SCHEMBL20493787

CC(NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)C(C)O)C(C)O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(CO)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.64
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ NMBR P28336 2/20 0.57
▸ GRPR P30550 2/20 0.57
▸ IL23R Q5VWK5 1/20 0.57
▸ C5AR1 P21730 1/20 0.56
▸ CALCA P06881 1/20 0.56
▸ GLP1R P43220 6/20 0.56
▸ GIPR P48546 6/20 0.56

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
SCHEMBL18642508 1.00 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607270 0.92 NPY2R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30435876 0.89 NPY1R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262181 0.88 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658213 0.88 NPY2R (0.70) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182444 0.88 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RIL23R
SCHEMBL30658222 0.88 NPY1R (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30571153 0.88 NMBR (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658362 0.88 NMBR (0.65) NPY1RNPY2RNPY4RNPY5RNMBR
SCHEMBL31073551 0.87 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RCALCA

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
EP-3350313-B1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE TECH AND RESEARCH ASTARSTAR (SG) 2025-11-26 — — EP claimed
EP-3350313-B1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE TECH AND RESEARCH ASTARSTAR (SG) 2025-11-26 — — EP disclosed
US-20180258400-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2018-09-13 — — US disclosed
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