SCHEMBL30536325

SCHEMBL30536325

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.62
▸ CTSD P07339 12/20 0.57
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL29822546 0.87 CTSD (0.55) CTSBCTSDOPRM1OPRD1OPRK1
SCHEMBL7844670 0.87 CTSD (0.61) CTSBCTSD
SCHEMBL38662780 0.86 CTSD (0.58) CTSBCTSDOPRM1OPRD1OPRK1
SCHEMBL30255550 0.86 CTSD (0.64) CTSBCTSD
SCHEMBL4985096 0.86 ACE (0.62) CTSD
SCHEMBL30052596 0.86 ACE (0.62) —
SCHEMBL4985114 0.86 ACE (0.62) CTSD
SCHEMBL31257071 0.85 OPRM1 (0.62) CTSBOPRM1OPRD1OPRK1
SCHEMBL14164206 0.85 CTSD (0.57) CTSBCTSDOPRM1OPRD1
SCHEMBL29364493 0.85 MME (0.54) CTSBCTSDOPRM1OPRD1OPRK1

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
US-20230270838-A1 VACCINE COMPOSITIONS FOR INFLUENZA VIRUSES AND METHODS OF USE ASCIONE RICHARD (US) 2023-08-31 — — US disclosed
Send feedback