SCHEMBL29468804

SCHEMBL29468804

C[C@H](NC(=O)CNC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.41
▸ CAPN1 P07384 3/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CMA1 P23946 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ NAA50 Q9GZZ1 1/20 0.35
▸ CALCRL Q16602 1/20 0.35

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
SCHEMBL30543475 0.95 GRB2 (0.41) GRB2CAPN1OPRM1OPRD1APLNR
SCHEMBL38651991 0.94 APLNR (0.43) GRB2OPRM1OPRD1APLNRNTSR1
SCHEMBL29468889 0.93 GRB2 (0.42) GRB2CAPN1OPRM1OPRD1APLNR
SCHEMBL30744292 0.90 APLNR (0.42) GRB2OPRM1OPRD1APLNRCMA1
SCHEMBL29760938 0.90 GRB2 (0.41) GRB2CAPN1OPRM1OPRD1APLNR
SCHEMBL30414346 0.89 GRB2 (0.42) GRB2CAPN1OPRM1OPRD1CMA1
SCHEMBL29468872 0.88 GRB2 (0.40) GRB2OPRM1OPRD1APLNRKMT2A
SCHEMBL30543476 0.88 GRB2 (0.44) GRB2OPRM1OPRD1APLNRNTSR1
SCHEMBL29691873 0.88 CAPN1 (0.47) GRB2CAPN1OPRM1OPRD1APLNR
SCHEMBL31501249 0.88 APLNR (0.41) GRB2CAPN1OPRM1OPRD1APLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436991-A1 PROCESS FOR THE PREPARATION OF TIRZEPATIDE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Sun Pharmaceutical Industries Limited (IN) 2024-10-02 — — EP disclosed
EP-4204440-A1 GLP-1/GIP DUAL AGONISTS Sun Pharmaceutical Industries Limited (IN) 2023-07-05 — — EP disclosed
WO-2023089594-A1 PROCESS FOR THE PREPARATION OF TIRZEPATIDE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2023-05-25 — — WO disclosed
WO-2022079639-A1 GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2022-04-21 — — WO disclosed
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