SCHEMBL29430993

SCHEMBL29430993

CSCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.56
▸ APLNR P35414 4/20 0.48
▸ NTSR1 P30989 2/20 0.46
▸ NMUR2 Q9GZQ4 4/20 0.45
▸ NMUR1 Q9HB89 4/20 0.45
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ RAMP3 O60896 4/20 0.42
▸ CALCR P30988 4/20 0.42
▸ CAPN1 P07384 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41

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
SCHEMBL5495351 0.94 NAA50 (0.54) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608626 0.91 NAA50 (0.53) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608607 0.90 NAA50 (0.53) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608624 0.88 NAA50 (0.51) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608586 0.88 NAA50 (0.51) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608562 0.87 NAA50 (0.49) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30853585 0.87 NAA50 (0.48) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608603 0.87 NAA50 (0.51) NAA50APLNRNTSR1NMUR2NMUR1
SCHEMBL30608629 0.87 NAA50 (0.51) NAA50APLNRNTSR1RAMP3CALCR
SCHEMBL31191354 0.87 NAA50 (0.49) NAA50APLNRNTSR1OPRD1RAMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227888-A1 BISPECIFIC BINDING CONSTRUCTS WITH SELECTIVELY CLEAVABLE LINKERS AMGEN INC. (US) 2022-07-21 — — US disclosed
EP-3980464-A1 BISPECIFIC BINDING CONSTRUCTS WITH SELECTIVELY CLEAVABLE LINKERS Amgen Inc. (US) 2022-04-13 — — EP disclosed
CN-114269784-A Bispecific binding constructs with selectively cleavable linkers 美国安进公司 2022-04-01 — — CN disclosed
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