SCHEMBL30438211

SCHEMBL30438211

NCCCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 20/20 0.63

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
SCHEMBL30120708 0.89 CPB2 (0.67) CPB2
SCHEMBL31253361 0.87 CPB2 (0.65) CPB2
SCHEMBL29641088 0.86 CPB2 (0.49) CPB2
SCHEMBL30183650 0.86 CPB2 (0.56) CPB2
SCHEMBL30799559 0.85 CPB2 (0.48) CPB2
SCHEMBL29387045 0.84 GRN (0.52) CPB2
SCHEMBL31433246 0.84 CPB2 (0.74) CPB2
SCHEMBL30799634 0.82 CPB2 (0.46) CPB2
SCHEMBL30541625 0.81 CPB2 (0.51) CPB2
SCHEMBL30799462 0.81 GRN (0.50) CPB2

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
US-20250147030-A1 PEPTIDE-ENCODED LIBRARIES OF SMALL MOLECULES FOR DE NOVO DRUG DISCOVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2025-05-08 US disclosed
WO-2023102255-A1 PEPTIDE-ENCODED LIBRARIES OF SMALL MOLECULES FOR DE NOVO DRUG DISCOVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-08 WO disclosed