SCHEMBL21702231

SCHEMBL21702231

O=C(NCc1ccccc1)C(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.53
CTSL P07711 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
SCHEMBL23506323 1.00 F2R (0.53) F2RCTSL
SCHEMBL23711154 0.99 F2R (0.52) F2RCTSL
SCHEMBL23711706 0.98 F2R (0.51) F2RCTSL
SCHEMBL23711163 0.98 F2R (0.51) F2RCTSL
SCHEMBL21702161 0.96 F2R (0.53) F2R
SCHEMBL21702076 0.96 CTSL (0.51) F2RCTSL
SCHEMBL23711696 0.96 CTSL (0.51) F2RCTSL
SCHEMBL23506563 0.96 F2R (0.52) F2R
SCHEMBL23506532 0.94 F2R (0.50) F2R
SCHEMBL26493831 0.94 F2R (0.50) F2R

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
WO-2021151387-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 WO disclosed
WO-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 WO disclosed