SCHEMBL22557064

SCHEMBL22557064

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.48
▸ USP30 Q70CQ3 5/20 0.43
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ SMYD3 Q9H7B4 4/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSC P53634 2/20 0.39

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
SCHEMBL22557481 0.89 FAAH (0.51) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL22557556 0.88 FAAH (0.46) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL22557053 0.88 FAAH (0.47) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL22557005 0.88 FAAH (0.45) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL22557010 0.87 FAAH (0.45) FAAHUSP30HDAC1HDAC6LRRK2
SCHEMBL24073259 0.86 HDAC1 (0.51) USP30HDAC1HDAC6
SCHEMBL24072853 0.86 HDAC1 (0.51) USP30HDAC1HDAC6
SCHEMBL30370217 0.86 HDAC1 (0.51) USP30HDAC1HDAC6
SCHEMBL24072855 0.86 HDAC1 (0.51) USP30HDAC1HDAC6
SCHEMBL30370111 0.86 HDAC1 (0.51) USP30HDAC1HDAC6

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