SCHEMBL30999554

SCHEMBL30999554

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 8/20 0.63
▸ EDNRA P25101 1/20 0.58
▸ CCKAR P32238 1/20 0.56
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP1 P03956 1/20 0.56
▸ ERAP2 Q6P179 1/20 0.55
▸ IL23R Q5VWK5 2/20 0.55
▸ ECE1 P42892 1/20 0.55

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
SCHEMBL30999591 0.94 CCKBR (0.69) CCKBRCCKAR
SCHEMBL30999575 0.92 CCKBR (0.65) CCKBRCCKAR
SCHEMBL30999587 0.91 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999592 0.91 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999586 0.91 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999544 0.91 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999611 0.91 CCKBR (0.74) CCKBRCCKAR
SCHEMBL30999565 0.90 CCKBR (0.63) CCKBRCCKARIL23R
Hydrochloric Acid SCHEMBL11693986 0.90 CCKBR (0.59) CCKBRCCKARMMP2MMP9MMP8
SCHEMBL11699685 0.89 CCKBR (0.79) CCKBRCCKAR

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
EP-4421082-A1 POLYPEPTIDE AND APPLICATION THEREOF AS CCK RECEPTOR AGONIST/ANTAGONIST Centre for Regenerative Medicine and Health, Hong Kong Institute of Science & Innovation, Chinese Academy of Sciences Limited (HK) 2024-08-28 — — EP disclosed
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