SCHEMBL25215130

SCHEMBL25215130

N#Cc1cccc(-c2cnc(C(=O)N[C@H]3CN[C@H](Cn4cccn4)C3)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.44
▸ USP30 Q70CQ3 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ HDAC1 Q13547 6/20 0.35
▸ HDAC6 Q9UBN7 6/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ GRM5 P41594 3/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ LRRK2 Q5S007 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
Trifluoroacetic Acid SCHEMBL30473949 0.95 FAAH (0.42) FAAHUSP30CA12CA1CA2
SCHEMBL25214315 0.90 FAAH (0.46) FAAHUSP30CA12CA1CA2
SCHEMBL25208583 0.90 FAAH (0.43) FAAHUSP30CA12CA1CA2
SCHEMBL25218966 0.88 FAAH (0.43) FAAHUSP30CA12CA1CA2
SCHEMBL25210729 0.87 FAAH (0.46) FAAHUSP30CA12CA1CA2
SCHEMBL25216415 0.86 HDAC1 (0.49) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL30473998 0.85 FAAH (0.44) FAAHUSP30CA12CA1CA2
Trifluoroacetic Acid SCHEMBL30474015 0.85 FAAH (0.41) FAAHUSP30CA12CA1CA2
SCHEMBL25236309 0.84 HDAC1 (0.38) HDAC1HDAC6PIM1
Trifluoroacetic Acid SCHEMBL30473954 0.84 FAAH (0.41) FAAHUSP30CA12CA1CA2

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