SCHEMBL29268928

SCHEMBL29268928

N#Cc1cccc(-c2cnc(C(=O)NC3C[C@H](Cn4ccnn4)N(C(=O)O)C3)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.46
▸ USP30 Q70CQ3 2/20 0.38
▸ CES1 P23141 1/20 0.36
▸ SCD O00767 2/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ HDAC1 Q13547 7/20 0.34
▸ HDAC6 Q9UBN7 7/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL25248700 1.00 FAAH (0.46) FAAHUSP30CES1SCDGRM5
SCHEMBL29268923 1.00 FAAH (0.46) FAAHUSP30CES1SCDGRM5
SCHEMBL25213510 0.90 FAAH (0.46) FAAHUSP30CES1SCDGRM5
SCHEMBL25215762 0.90 FAAH (0.42) FAAHUSP30CES1SCDGRM5
SCHEMBL30474001 0.90 FAAH (0.39) FAAHUSP30GRM5HDAC1HDAC6
SCHEMBL25675481 0.90 FAAH (0.39) FAAHUSP30GRM5HDAC1HDAC6
SCHEMBL25218096 0.89 HDAC1 (0.46) FAAHUSP30HDAC1HDAC6CA12
SCHEMBL25210893 0.89 HDAC1 (0.46) FAAHUSP30HDAC1HDAC6HDAC3
SCHEMBL25215194 0.88 FAAH (0.49) FAAHUSP30CES1SCDGRM5
SCHEMBL25218982 0.88 FAAH (0.49) FAAHUSP30CES1SCDGRM5

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
CN-118302422-A Substituted N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2024-07-05 — — CN disclosed
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