SCHEMBL23745322

SCHEMBL23745322

C=C[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ FAP Q12884 1/20 0.39
▸ DPP4 P27487 2/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ ADAMTS5 Q9UNA0 10/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ MMP2 P08253 3/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP14 P50281 1/20 0.35

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
SCHEMBL23745214 0.81 ADAMTS5 (0.55) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29250257 0.81 ADAMTS5 (0.55) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29835134 0.81 ADAMTS5 (0.55) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL29835226 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL31121201 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL30013197 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL23728005 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL23745305 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL23745307 0.79 DPP7 (0.41) DPP7FAPDPP4NAMPTADAMTS5
SCHEMBL23745304 0.78 ADAMTS5 (0.54) DPP7ADAMTS5MMP13MMP2ADAM17

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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