SCHEMBL29947945

SCHEMBL29947945

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.53
▸ ANPEP P15144 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ GRB2 P62993 1/20 0.47
▸ CAPN1 P07384 2/20 0.44
▸ NTSR2 O95665 13/20 0.44
▸ NTSR1 P30989 13/20 0.44
▸ SORT1 Q99523 12/20 0.44
▸ F2 P00734 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42

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
SCHEMBL30631327 0.93 XIAP (0.52) XIAPANPEPLNPEPGRB2CAPN1
SCHEMBL14693963 0.91 XIAP (0.53) XIAPANPEPLNPEPNTSR2NTSR1
SCHEMBL14693960 0.91 XIAP (0.53) XIAPANPEPLNPEPNTSR2NTSR1
SCHEMBL30874709 0.90 XIAP (0.53) XIAPANPEPLNPEPGRB2NTSR2
SCHEMBL31289489 0.89 XIAP (0.52) XIAPNTSR2NTSR1SORT1AGTR1
SCHEMBL31461973 0.87 XIAP (0.52) XIAPANPEPLNPEPCAPN1NTSR2
Davunetide SCHEMBL239737 0.87 XIAP (0.48) XIAPNTSR2NTSR1SORT1F2
Davunetide SCHEMBL19712227 0.87 XIAP (0.48) XIAPNTSR2NTSR1SORT1F2
Davunetide SCHEMBL239736 0.87 XIAP (0.48) XIAPNTSR2NTSR1SORT1F2
Davunetide SCHEMBL3689039 0.87 XIAP (0.48) XIAPNTSR2NTSR1SORT1F2

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-4313117-A1 USE OF ADNF POLYPEPTIDES IN THERAPY Ramot at Tel-Aviv University Ltd. (IL) 2024-02-07 — — EP disclosed
WO-2022201167-A1 USE OF ADNF POLYPEPTIDES IN THERAPY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-09-29 — — WO disclosed
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