SCHEMBL29695585

SCHEMBL29695585

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.62
▸ GCGR P47871 1/20 0.62
▸ GIPR P48546 1/20 0.62
▸ IL23R Q5VWK5 3/20 0.59
▸ PTH1R Q03431 3/20 0.55
▸ KEAP1 Q14145 1/20 0.54
▸ KISS1R Q969F8 3/20 0.53
▸ CCKBR P32239 1/20 0.53
▸ TLR2 O60603 1/20 0.53
▸ GHSR Q92847 1/20 0.52

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
SCHEMBL30601285 0.90 GLP1R (0.64) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL30262119 0.90 GLP1R (0.62) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL29608081 0.89 GLP1R (0.62) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL29855839 0.87 ERAP2 (0.60) GLP1RKISS1RTLR2
SCHEMBL29525144 0.85 GLP1R (0.68) GLP1RGCGRGIPRIL23RPTH1R
SCHEMBL30512698 0.85 ERBB2 (0.65) GLP1RGCGRGIPRIL23RKISS1R
SCHEMBL31532229 0.85 KISS1R (0.64) IL23RKISS1RGHSR
SCHEMBL33533126 0.85 ERAP2 (0.56) GLP1RGCGRGIPRKISS1R
SCHEMBL30398271 0.85 ERAP2 (0.56) GLP1RGCGRGIPRKISS1R
SCHEMBL31666086 0.85 IL23R (0.66) GLP1RGCGRGIPRIL23RCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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