SCHEMBL31321048

SCHEMBL31321048

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.45
▸ NTSR1 P30989 10/20 0.44
▸ NTSR2 O95665 9/20 0.44
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ SORT1 Q99523 8/20 0.43
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 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
SCHEMBL31321065 0.86 CTSB (0.55) RENCTSBCTSK
SCHEMBL30688537 0.83 CTRB1 (0.44) —
SCHEMBL31338977 0.81 CAPN1 (0.45) RENNTSR1NTSR2CTSBSORT1
SCHEMBL30445992 0.81 CASP3 (0.39) NTSR1
SCHEMBL30963663 0.80 XIAP (0.49) —
SCHEMBL29859475 0.80 PTPN1 (0.50) REN
SCHEMBL30945915 0.79 CTSB (0.51) RENCTSBCTSK
SCHEMBL29583278 0.79 ACE (0.51) —
SCHEMBL29693010 0.79 PTPN1 (0.49) CTSK
SCHEMBL29693013 0.78 PTPN1 (0.49) CTSK

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
CN-119219757-A Production process of melittin 杭州湃肽生化科技有限公司 2024-12-31 — — CN claimed
CN-119219757-A Production process of melittin 杭州湃肽生化科技有限公司 2024-12-31 — — CN disclosed
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