SCHEMBL30321101

SCHEMBL30321101

C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.46
▸ CTSB P07858 1/20 0.44
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ BDKRB2 P30411 2/20 0.40
▸ GRB2 P62993 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CXCR4 P61073 1/20 0.38

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
SCHEMBL31752434 0.97 CAPN1 (0.48) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL29595585 0.93 OPRM1 (0.47) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL30184771 0.93 OPRM1 (0.47) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL29397180 0.92 OPRM1 (0.51) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL30626180 0.92 OPRM1 (0.51) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL20769301 0.91 CAPN1 (0.54) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL20769305 0.91 CAPN1 (0.54) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL29408661 0.91 CAPN1 (0.54) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL29760883 0.90 CAPN1 (0.55) CAPN1CTSBOPRM1OPRD1BDKRB2
SCHEMBL30139003 0.88 CAPN1 (0.43) CAPN1CTSBOPRM1OPRD1BDKRB2

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-115811970-A Liquid formulations of long-acting conjugates of glucagon, GLP-1 and GIP triple agonists 韩美药品株式会社 2023-03-17 — — CN disclosed
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