SCHEMBL23745431

SCHEMBL23745431

C=C(C1CC1)[C@]1(CCC(=O)N2CCc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 10/20 0.40
▸ ADAMTS5 Q9UNA0 7/20 0.40
▸ FAP Q12884 1/20 0.38
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL23745220 0.97 ADAMTS5 (0.40) CCR2ADAMTS5FAPDPP4
SCHEMBL29835157 0.83 ADAMTS5 (0.54) ADAMTS5
SCHEMBL23745405 0.83 ADAMTS5 (0.54) ADAMTS5
SCHEMBL29835185 0.79 ADAMTS5 (0.54) ADAMTS5
SCHEMBL29250233 0.79 ADAMTS5 (0.54) ADAMTS5
SCHEMBL23727483 0.77 ADAMTS5 (0.58) ADAMTS5
SCHEMBL23727481 0.77 ADAMTS5 (0.58) ADAMTS5
SCHEMBL29835134 0.75 ADAMTS5 (0.55) ADAMTS5
SCHEMBL23745214 0.75 ADAMTS5 (0.55) ADAMTS5
SCHEMBL29250257 0.75 ADAMTS5 (0.55) ADAMTS5

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-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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