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SCHEMBL30296801

SCHEMBL30296801

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.69
▸ NPY4R P50391 8/20 0.69
▸ NPY5R Q15761 8/20 0.69
▸ NPY1R P25929 6/20 0.69
▸ TFPI P10646 4/20 0.61
▸ CALCR P30988 3/20 0.60
▸ GLP1R P43220 2/20 0.57
▸ CXCR4 P61073 1/20 0.57

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
SCHEMBL29489266 0.95 TFPI (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30578732 0.91 NPY2R (0.74) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29805442 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182963 0.89 TFPI (0.68) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607488 0.89 EPHA2 (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182542 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30537478 0.89 NPY2R (0.70) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607356 0.89 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495808 0.88 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31295730 0.88 CALCR (0.61) NPY2RNPY4RNPY5RNPY1RTFPI

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
CN-107660150-B IL-18 binding proteins (IL-18 BP) and antibodies in inflammatory diseases AB2生物股份有限公司 2023-10-24 — — CN disclosed
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