SCHEMBL25326686

SCHEMBL25326686

O=C(O)N1CC(c2ccc(C3CCC3)c(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
ACMSD Q8TDX5 2/20 0.38
KMO O15229 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAOA P21397 1/20 0.37
FASN P49327 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL25326718 0.80 GPR119 (0.48) USP30
SCHEMBL23091827 0.79 HDAC1 (0.46) ACMSDHDAC1NPC1RAB9AATM
SCHEMBL15173662 0.79 HDAC1 (0.44) USP30ACMSDHDAC1HDAC2NPC1
SCHEMBL25249861 0.79 KDM1A (0.45) USP30ACMSDHDAC1HDAC2NPC1
SCHEMBL25325512 0.78 SLC9A1 (0.43) ACMSDKMOFASN
SCHEMBL21381933 0.78 KDM1A (0.49) USP30FASN
SCHEMBL13738768 0.75 SCD5 (0.50) KMONPC1RAB9AATM
SCHEMBL8328994 0.74 OPRL1 (0.46) ACMSDKMOHDAC2
SCHEMBL21381616 0.73 PTGDR2 (0.43) PTGDR2
SCHEMBL23212022 0.73 EPHX2 (0.46) USP30

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-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed