SCHEMBL22557481

SCHEMBL22557481

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.51
▸ USP30 Q70CQ3 1/20 0.42
▸ SMYD3 Q9H7B4 4/20 0.40
▸ HCRTR2 O43614 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ SCD O00767 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37

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
SCHEMBL22557064 0.89 FAAH (0.48) FAAHUSP30SMYD3LRRK2HDAC1
SCHEMBL22585734 0.88 FAAH (0.43) FAAHUSP30SMYD3HCRTR2LRRK2
SCHEMBL22556938 0.87 FAAH (0.49) FAAHUSP30LRRK2HDAC1HDAC6
SCHEMBL22556910 0.87 FAAH (0.51) FAAHUSP30HDAC1HDAC6CA12
SCHEMBL22557381 0.87 FAAH (0.49) FAAHUSP30LRRK2HDAC1HDAC6
SCHEMBL25218982 0.87 FAAH (0.49) FAAHUSP30HDAC1HDAC6CA12
SCHEMBL22557452 0.87 FAAH (0.49) FAAHUSP30LRRK2HDAC1HDAC6
SCHEMBL23069418 0.85 USP30 (0.42) FAAHUSP30SMYD3HCRTR2LRRK2
SCHEMBL25215194 0.85 FAAH (0.49) FAAHUSP30HDAC1HDAC6CA12
SCHEMBL29269018 0.85 FAAH (0.49) FAAHUSP30HDAC1HDAC6CA12

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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