SCHEMBL30013124

SCHEMBL30013124

C[C@@H](CC1NC(=O)NC1=O)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 4/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ DPP7 Q9UHL4 6/20 0.53
▸ MMP14 P50281 1/20 0.48
▸ DPP4 P27487 4/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ FAP Q12884 1/20 0.39
▸ SLC6A9 P48067 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ CCR2 P41597 4/20 0.37
▸ DPP8 Q6V1X1 4/20 0.36
▸ DPP9 Q86TI2 4/20 0.36

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
SCHEMBL30013015 0.80 ADAMTS5 (0.64) ADAMTS5ADAM17DPP7DPP4FAP
SCHEMBL23745207 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL31121196 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL31121172 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL23728086 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL23745210 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL23745208 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL23745205 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL31121170 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14
SCHEMBL23745286 0.75 ADAMTS5 (0.59) ADAMTS5MMP2ADAM17DPP7MMP14

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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
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