SCHEMBL23745240

SCHEMBL23745240

Cn1ccnc1[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 18/20 0.53
▸ ADAM17 P78536 10/20 0.53
▸ MMP2 P08253 7/20 0.53
▸ MMP13 P45452 6/20 0.53
▸ ADAMTS4 O75173 4/20 0.53
▸ MMP1 P03956 3/20 0.53
▸ MMP3 P08254 3/20 0.53
▸ MMP7 P09237 3/20 0.53
▸ MMP9 P14780 3/20 0.53
▸ MMP14 P50281 3/20 0.53
▸ ADAMTS7 Q9UKP4 1/20 0.50
▸ ADAMTS1 Q9UHI8 1/20 0.39

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
SCHEMBL30012955 1.00 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL30899243 1.00 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL31121175 1.00 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23745439 1.00 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23728103 1.00 ADAMTS5 (0.53) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23745269 0.85 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23745271 0.85 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23745259 0.85 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL23727860 0.84 ADAMTS5 (0.58) ADAMTS5ADAM17MMP2MMP13ADAMTS4
SCHEMBL29835135 0.84 ADAMTS5 (0.58) ADAMTS5ADAM17MMP2MMP13ADAMTS4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754635-B Condensed ring compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2024-06-21 — — CN disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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