SCHEMBL29538275

SCHEMBL29538275

CN[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ BACE1 P56817 6/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ HRH1 P35367 1/20 0.43
▸ CTSD P07339 1/20 0.43

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
SCHEMBL29824150 0.91 KISS1R (0.48) BACE1BACE2OPRL1CTSD
SCHEMBL29397161 0.88 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL30571142 0.86 GNPAT (0.50) GNPATF2OPRL1
SCHEMBL31031587 0.85 BACE1 (0.52) BACE1BACE2OPRL1CTSD
SCHEMBL30787961 0.85 BACE1 (0.58) F2BACE1BACE2CTSD
SCHEMBL30974149 0.84 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL30974619 0.84 BACE1 (0.53) F2BACE1BACE2
SCHEMBL30974537 0.84 OPRL1 (0.58) OPRL1
SCHEMBL31347335 0.84 OPRL1 (0.56) OPRL1
SCHEMBL29461264 0.83 OPRL1 (0.55) BACE1OPRL1CTSD

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-109477094-B Peptide compounds 武田药品工业株式会社 2022-04-26 — — CN claimed
Send feedback