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Sugi Predict / Compounds / SCHEMBL31232533

SCHEMBL31232533

SCHEMBL31232533

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 6/20 0.51
▸ VIPR1 P32241 5/20 0.51
▸ GLP1R P43220 8/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNA1 P78396 2/20 0.45

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
SCHEMBL29541008 0.91 VIPR2 (0.47) VIPR2VIPR1GLP1R
SCHEMBL29541058 0.91 VIPR2 (0.47) VIPR2VIPR1GLP1R
SCHEMBL29836295 0.89 GLP1R (0.58) VIPR2VIPR1GLP1R
SCHEMBL29542217 0.89 NPY4R (0.46) VIPR2VIPR1RXFP1
SCHEMBL29659741 0.89 NPY4R (0.47) VIPR2VIPR1GLP1R
SCHEMBL30432968 0.88 VIPR1 (0.59) VIPR2VIPR1GLP1R
SCHEMBL14921120 0.88 VIPR2 (0.44) VIPR2VIPR1GLP1RCCNA2CDK2
SCHEMBL30140911 0.88 GLP1R (0.51) VIPR2VIPR1GLP1R
SCHEMBL31183012 0.87 VIPR1 (0.62) VIPR2VIPR1GLP1R
SCHEMBL31588088 0.87 GLP1R (0.49) VIPR2VIPR1GLP1R

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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