SCHEMBL22557643

SCHEMBL22557643

COC[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ncn2)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.37
▸ ANPEP P15144 5/20 0.37
▸ CHRM4 P08173 6/20 0.37
▸ RIPK1 Q13546 1/20 0.35
▸ XIAP P98170 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL22556902 0.80 MMP2 (0.38) MMP2ANPEPCHRM4RIPK1SMYD3
SCHEMBL22556900 0.80 MMP2 (0.38) MMP2ANPEPCHRM4RIPK1SMYD3
SCHEMBL22556913 0.78 LRRK2 (0.41) GRM5
SCHEMBL22557386 0.75 USP30 (0.48) MMP2ANPEPSMYD3GRM5
SCHEMBL22556925 0.71 GRM5 (0.40) GRM5
SCHEMBL25308019 0.68 AGPAT2 (0.39) —
SCHEMBL22557294 0.67 MMP2 (0.41) MMP2ANPEPCHRM4
SCHEMBL6521518 0.66 MMP13 (0.42) S1PR1
SCHEMBL23069407 0.66 USP30 (0.42) MMP2GRM5
SCHEMBL29158597 0.66 USP30 (0.42) MMP2GRM5

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-2020212351-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO disclosed
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