SCHEMBL7507142

SCHEMBL7507142

NC(=O)CCC(OC(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.39
SLC7A5 Q01650 3/20 0.39
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNK2 O95069 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
DRD3 P35462 2/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
EDNRB P24530 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5580789 0.79 SMN1; SMN2 (0.46) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL30795605 0.76 EPHX1 (0.40) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL7514729 0.76 PREP (0.43) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL30795778 0.75 EPHX1 (0.38) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL5470948 0.74 BCAT2 (0.55) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL2089538 0.74 BCAT2 (0.55) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL16963125 0.74 GSR (0.49) CYP1A2CYP2D6SMN1; SMN2SLC7A5SLC6A3
SCHEMBL5462636 0.74 BCAT2 (0.55) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL27835347 0.74 TAAR1 (0.46) SLC7A5SLC6A3SLC6A2SLC6A4KCNK2
SCHEMBL20293768 0.74 CYP1A2 (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed