SCHEMBL23417888

SCHEMBL23417888

C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC)C(=O)N[C@@H](CCCNC(N)N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.42
▸ XIAP P98170 6/20 0.39
▸ ACE P12821 3/20 0.36
▸ NRP1 O14786 1/20 0.36
▸ NTSR2 O95665 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35

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
SCHEMBL20694547 0.77 NRP1 (0.46) GRB2XIAPNRP1
SCHEMBL24668333 0.74 GRB2 (0.38) GRB2XIAPNRP1
SCHEMBL22209499 0.71 MALT1 (0.51) GRB2XIAP
SCHEMBL24716410 0.71 NRP1 (0.45) GRB2XIAPNRP1
SCHEMBL29802139 0.71 F2 (0.49) GRB2XIAPACENRP1NTSR2
SCHEMBL29571867 0.70 F2 (0.46) GRB2XIAPACENRP1NTSR2
SCHEMBL31034448 0.70 NRP1 (0.46) GRB2NRP1NTSR2NTSR1SORT1
SCHEMBL29801986 0.70 NTSR2 (0.49) GRB2ACENRP1NTSR2NTSR1
SCHEMBL29802257 0.70 NRP1 (0.53) GRB2XIAPACENRP1NTSR2
SCHEMBL29802247 0.70 NTSR2 (0.49) GRB2ACENRP1NTSR2NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
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