SCHEMBL31232471

SCHEMBL31232471

C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.54
▸ BACE2 Q9Y5Z0 3/20 0.54
▸ OPRD1 P41143 7/20 0.48
▸ CCKAR P32238 3/20 0.46
▸ CCKBR P32239 3/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ ENPEP Q07075 3/20 0.46
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL30915528 0.90 NAALAD2 (0.54) BACE1BACE2ENPEP
SCHEMBL30931574 0.90 ENPEP (0.52) OPRD1ENPEP
SCHEMBL31345046 0.90 BACE1 (0.53) BACE1BACE2
SCHEMBL31680262 0.88 BACE1 (0.47) BACE1BACE2OPRD1CCKARCCKBR
SCHEMBL30753845 0.87 NAALAD2 (0.51) BACE1BACE2ENPEPOPRM1
SCHEMBL30719918 0.87 BACE1 (0.44) BACE1BACE2PTPN1
SCHEMBL30688994 0.86 NAALAD2 (0.52) BACE1BACE2ENPEPOPRM1
SCHEMBL29881615 0.85 PTPN1 (0.47) BACE1BACE2PTPN1
SCHEMBL30937421 0.85 NAALAD2 (0.47) BACE1BACE2
SCHEMBL30676241 0.85 NAALAD2 (0.47) BACE1BACE2OPRD1OPRM1

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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