SCHEMBL21702180

SCHEMBL21702180

O=C(NC1CCCCC1)C(=O)C(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.50

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
SCHEMBL23711160 1.00 F2R (0.50) F2R
SCHEMBL26491307 1.00 F2R (0.50) F2R
SCHEMBL23506436 1.00 F2R (0.50) F2R
SCHEMBL23711164 0.99 F2R (0.49) F2R
SCHEMBL23711157 0.99 F2R (0.49) F2R
SCHEMBL21702084 0.98 F2R (0.48) F2R
SCHEMBL23506449 0.98 F2R (0.48) F2R
SCHEMBL21702162 0.96 F2R (0.49) F2R
SCHEMBL23506401 0.96 F2R (0.49) F2R
SCHEMBL23506407 0.95 F2R (0.49) 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 3 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
EP-3835296-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-06-16 EP 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