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Sugi Predict / Compounds / SCHEMBL31232459

SCHEMBL31232459

SCHEMBL31232459

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ CALCA P06881 2/20 0.57
▸ CXCR4 P61073 6/20 0.57
▸ GLP1R P43220 7/20 0.56
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL30437221 0.89 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL29391164 0.88 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL30824281 0.87 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL29880262 0.86 PTH1R (0.63) NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL30508526 0.86 CXCR4 (0.58) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31453816 0.86 RXFP1 (0.65) GLP1RRXFP1
SCHEMBL30607284 0.86 NPY2R (0.64) NPY1RNPY2RNPY4RNPY5RCALCA
SCHEMBL30578571 0.85 RXFP1 (0.58) GLP1RRXFP1
SCHEMBL29674929 0.85 CXCR4 (0.59) CXCR4
SCHEMBL29675119 0.85 CXCR4 (0.59) CXCR4

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-4642492-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES Hangzhou Seehe Biotechnology Co., Ltd (CN) 2025-11-05 — — EP claimed
WO-2024240173-A1 AN ANTIBODY-DRUG CONJUGATE HAVING TWO OR MORE FUNCTIONAL SMALL MOLECULE COMPOUNDS FOR ENHANCED TREATMENT OF REFRACTORY DISEASES HANGZHOU SEEHE BIOTECHNOLOGY CO., LTD (CN) 2024-11-28 — — WO claimed
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