SCHEMBL23069404

SCHEMBL23069404

COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C#N)ccc3OC)o2)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.35
▸ UGCG Q16739 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ TLR9 Q9NR96 2/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL29546047 1.00 LRRK2 (0.36) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL29158603 0.90 CTSS (0.36) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL30798694 0.90 CTSS (0.36) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL23085662 0.90 CTSS (0.36) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL29158599 0.90 CTSS (0.36) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL23069425 0.89 USP30 (0.39) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL29470211 0.89 USP30 (0.39) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL23069408 0.89 LRRK2 (0.39) LRRK2EGLN1UGCGGPR6TLR9
SCHEMBL25304785 0.87 ADORA2A (0.36) TLR9TLR8TLR7ACKR3KCNH2
SCHEMBL23069407 0.85 USP30 (0.42) LRRK2EGLN1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025573-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2022-07-13 — — EP disclosed
CN-114341133-A Substituted cyanopyrrolidines with USP30 inhibitor activity 特殊治疗有限公司 2022-04-12 — — CN disclosed
WO-2021043870-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2021-03-11 — — WO disclosed
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