SCHEMBL31147165

SCHEMBL31147165

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.55
▸ GHSR Q92847 5/20 0.53
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ TACR1 P25103 1/20 0.49
▸ DPP3 Q9NY33 1/20 0.48

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
SCHEMBL31127559 0.94 GHSR (0.60) CXCR4GHSRNTSR2NTSR1SORT1
SCHEMBL31127571 0.88 GHSR (0.54) CXCR4GHSRNTSR2NTSR1SORT1
SCHEMBL29420134 0.86 DPP3 (0.57) GHSRNTSR2NTSR1SORT1DPP3
SCHEMBL30974490 0.85 CXCR4 (0.58) CXCR4NTSR2NTSR1SORT1DPP3
SCHEMBL29498130 0.85 NTSR2 (0.57) GHSRNTSR2NTSR1SORT1TACR1
SCHEMBL30051406 0.84 DPP3 (0.58) DPP3
SCHEMBL29556676 0.84 CXCR4 (0.55) CXCR4NTSR2NTSR1SORT1DPP3
SCHEMBL29973187 0.84 CXCR4 (0.56) CXCR4NTSR2NTSR1SORT1DPP3
SCHEMBL31737281 0.83 CXCR4 (0.55) CXCR4NTSR2NTSR1SORT1TACR1
SCHEMBL31593365 0.82 NTSR2 (0.56) CXCR4GHSRNTSR2NTSR1SORT1

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
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN claimed
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN disclosed
CN-118557698-A Application of urechis unicinctus modified polypeptide in preparation of drug for treating alcoholic liver injury 北京石油化工学院 2024-08-30 — — CN disclosed
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