SCHEMBL22556938

SCHEMBL22556938

COC[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(C#N)c3)o2)CN1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.49
▸ USP30 Q70CQ3 2/20 0.41
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ LRRK2 Q5S007 3/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CES1 P23141 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35

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
SCHEMBL22556910 0.90 FAAH (0.51) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL22557452 0.89 FAAH (0.49) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL22557556 0.89 FAAH (0.46) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL25215194 0.88 FAAH (0.49) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL29269019 0.88 FAAH (0.49) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL25218982 0.88 FAAH (0.49) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL29269018 0.88 FAAH (0.49) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL23069407 0.87 USP30 (0.42) FAAHUSP30LRRK2EGLN1
SCHEMBL29158597 0.87 USP30 (0.42) FAAHUSP30LRRK2EGLN1
SCHEMBL22557481 0.87 FAAH (0.51) FAAHUSP30HDAC1HDAC6LRRK2

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-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 — — WO disclosed
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