SCHEMBL25944446

SCHEMBL25944446

CSc1ccc(COC2CNC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
NAAA Q02083 13/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGER1 P34995 1/20 0.33
CTSK P43235 2/20 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
SCHEMBL30945166 0.83 NAAA (0.36) SLC6A4NAAASLC6A2SLC6A3KCNH2
SCHEMBL27246487 0.80 IDO1 (0.51) SLC6A4NAAASLC6A2SLC6A3KCNH2
SCHEMBL30945246 0.78 SLC6A4 (0.45) SLC6A4
SCHEMBL25296511 0.75 NAAA (0.38) SLC6A4NAAASLC6A2SLC6A3KCNH2
SCHEMBL21984758 0.75 IDO1 (0.55) SLC6A4NAAASLC6A2SLC6A3
SCHEMBL30013160 0.75 PTGS1 (0.42) SLC6A4NAAAKCNH2
SCHEMBL25944448 0.75 PTGS1 (0.42) SLC6A4NAAAKCNH2
SCHEMBL21722847 0.74 NAAA (0.44) SLC6A4NAAASLC6A2SLC6A3KCNH2
SCHEMBL25943837 0.73 NAAA (0.36) SLC6A4NAAASLC6A2SLC6A3KCNH2
SCHEMBL29277472 0.70 ALDH1A1 (0.40) NAAACTSK

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