SCHEMBL31246192

SCHEMBL31246192

COCOCCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
AOC3 Q16853 1/20 0.41
ELOVL1 Q9BW60 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAOB P27338 2/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4579423 0.83 TAAR1 (0.50) TAAR1AOC3ELOVL1PTGS1PTGS2
SCHEMBL17070611 0.83 TAAR1 (0.50) TAAR1AOC3ELOVL1PTGS1PTGS2
SCHEMBL28367193 0.83 TAAR1 (0.54) TAAR1AOC3ELOVL1PTGS1PTGS2
SCHEMBL15114792 0.82 KCNH2 (0.50) TAAR1IDO1AGXTMAPTKMT2A
SCHEMBL15114763 0.80 ESR1 (0.50) TAAR1PTGS1PTGS2KDM4EMAPT
SCHEMBL2172552 0.80 TAAR1 (0.44) TAAR1MAOBIDO1KDM4EMEN1
SCHEMBL27756949 0.80 TAAR1 (0.53) TAAR1AOC3MAOBIDO1AGXT
SCHEMBL27756950 0.80 CHKA (0.36)
SCHEMBL8401100 0.79 CA1 (0.42) TAAR1IDO1KDM4EL3MBTL1
SCHEMBL17662689 0.79 RAB9A (0.49) TAAR1AOC3ELOVL1PTGS1PTGS2

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
EP-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed