SCHEMBL24187495

SCHEMBL24187495

CCc1cc(F)c(F)cc1N1CCN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.70
▸ MMP13 P45452 2/20 0.70
▸ MMP2 P08253 3/20 0.69
▸ ADAM17 P78536 3/20 0.66
▸ ADAMTS4 O75173 2/20 0.64
▸ MMP1 P03956 1/20 0.64
▸ MMP12 P39900 1/20 0.64

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
SCHEMBL24187377 0.85 ADAMTS5 (0.70) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL17871398 0.82 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL21582730 0.82 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL21582729 0.82 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL17871340 0.82 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL17871366 0.82 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL20708258 0.81 ADAMTS5 (0.82) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL20708329 0.80 ADAMTS5 (0.84) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL20708606 0.80 ADAMTS5 (0.84) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL17871287 0.80 ADAMTS5 (1.00) ADAMTS5MMP13MMP2ADAM17ADAMTS4

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-2022007866-A1 FUSED TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 深圳信立泰药业股份有限公司 2022-01-13 — — WO disclosed
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