SCHEMBL31197705

SCHEMBL31197705

O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C[C@@H]1CCNC1=O)c1cc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.55
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL23711795 0.90 F2R (0.52) F2R
SCHEMBL24960912 0.87 F2R (0.49) F2R
SCHEMBL26224037 0.87 F2R (0.49) F2R
SCHEMBL23506323 0.84 F2R (0.53) F2RCTSL
SCHEMBL21702231 0.84 F2R (0.53) F2RCTSL
SCHEMBL24425348 0.84 CTSL (0.59) CTSLCTSB
SCHEMBL25290734 0.84 CTSL (0.59) CTSLCTSB
SCHEMBL29461460 0.84 CTSL (0.59) CTSLCTSB
SCHEMBL23722671 0.84 CTSL (0.59) CTSLCTSB
SCHEMBL25290733 0.84 CTSL (0.59) CTSLCTSB

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
WO-2024222830-A1 SULFUR-CONTAINING PEPTIDOMIMETIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2024-10-31 WO disclosed