SCHEMBL25218982

SCHEMBL25218982

N#Cc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@@H](Cn4cnnc4)N(C(=O)O)C3)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.49
▸ USP30 Q70CQ3 2/20 0.41
▸ CES1 P23141 1/20 0.37
▸ HDAC1 Q13547 6/20 0.36
▸ HDAC6 Q9UBN7 6/20 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
▸ SCD O00767 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.34
▸ EGLN1 Q9GZT9 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
SCHEMBL29269018 0.90 FAAH (0.49) FAAHUSP30CES1HDAC1HDAC6
SCHEMBL29269019 0.90 FAAH (0.49) FAAHUSP30CES1HDAC1HDAC6
SCHEMBL25215194 0.90 FAAH (0.49) FAAHUSP30CES1HDAC1HDAC6
SCHEMBL25213012 0.89 FAAH (0.45) FAAHUSP30CES1HDAC1HDAC6
SCHEMBL22556910 0.89 FAAH (0.51) FAAHUSP30CES1HDAC1HDAC6
SCHEMBL29268979 0.89 FAAH (0.41) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL25676348 0.89 FAAH (0.41) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL29268980 0.89 FAAH (0.41) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL30473927 0.89 FAAH (0.41) FAAHUSP30HDAC1HDAC6FLT1
SCHEMBL25248700 0.88 FAAH (0.46) FAAHUSP30CES1HDAC1HDAC6

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-2023099561-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-06-08 — — WO disclosed
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