SCHEMBL25257722

SCHEMBL25257722

N#Cc1cccc(-c2cnc(C(=O)N[C@@H]3C[C@@H](Cn4cncn4)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
▸ SCD O00767 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ CES1 P23141 1/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 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
▸ GRM5 P41594 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ SCD5 Q86SK9 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
SCHEMBL29269031 1.00 FAAH (0.46) FAAHUSP30SCDADORA3ADORA2A
SCHEMBL29269036 1.00 FAAH (0.46) FAAHUSP30SCDADORA3ADORA2A
SCHEMBL25241218 0.90 FAAH (0.42) FAAHUSP30SCDADORA3ADORA2A
SCHEMBL30474010 0.90 FAAH (0.39) FAAHUSP30SCDADORA3ADORA2A
SCHEMBL25213510 0.89 FAAH (0.46) FAAHUSP30SCDCES1HDAC1
SCHEMBL25215194 0.88 FAAH (0.49) FAAHUSP30SCDCES1HDAC1
SCHEMBL29269018 0.88 FAAH (0.49) FAAHUSP30SCDCES1HDAC1
SCHEMBL25218982 0.88 FAAH (0.49) FAAHUSP30SCDCES1HDAC1
SCHEMBL29269019 0.88 FAAH (0.49) FAAHUSP30SCDCES1HDAC1
SCHEMBL25248700 0.87 FAAH (0.46) FAAHUSP30SCDCES1HDAC1

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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