SCHEMBL31223770

SCHEMBL31223770

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.44
▸ RAMP3 O60896 12/20 0.42
▸ CALCR P30988 12/20 0.42
▸ NTSR2 O95665 3/20 0.42
▸ NTSR1 P30989 3/20 0.42
▸ NMUR2 Q9GZQ4 2/20 0.41
▸ NMUR1 Q9HB89 2/20 0.41
▸ PLK1 P53350 1/20 0.39

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
SCHEMBL31419820 0.93 NTSR2 (0.44) NTSR2NTSR1PLK1
SCHEMBL31249463 0.91 RAMP3 (0.44) KEAP1RAMP3CALCRNTSR1NMUR2
SCHEMBL31437168 0.89 RAMP3 (0.47) RAMP3CALCRNTSR1NMUR2NMUR1
SCHEMBL31467772 0.86 EPHA2 (0.41) NTSR2NTSR1PLK1
SCHEMBL29630805 0.86 BDKRB2 (0.41) NTSR2NTSR1NMUR2NMUR1
SCHEMBL31467763 0.85 EPHA2 (0.48) KEAP1RAMP3CALCR
SCHEMBL31419809 0.85 NMUR2 (0.44) RAMP3CALCRNTSR2NTSR1NMUR2
SCHEMBL31437202 0.83 OPRM1 (0.46) NTSR2NTSR1NMUR2NMUR1
SCHEMBL8876493 0.83 NPY4R (0.60) NTSR2NTSR1
SCHEMBL9616909 0.82 OPRK1 (0.43) —

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
CN-119020416-A Tumor treatment system constructed by M1 type macrophage exosome expressing Siglec-10 group 中山大学·深圳 2024-11-26 — — CN disclosed
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