SCHEMBL5704604

SCHEMBL5704604

N[C@@H](Cc1ccccc1)[C@@H](O)C(CF)(CF)CF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
SLC15A1 P46059 1/20 0.45
LAP3 P28838 4/20 0.44
ANPEP P15144 3/20 0.44
CSNK1E P49674 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5704599 1.00 EPHX1 (0.45) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL6556276 0.81 EPHX1 (0.48) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL10622532 0.81 EPHX1 (0.48) EPHX1SLC15A1LAP3ANPEPCSNK1E
Hydrochloric Acid SCHEMBL5711578 0.80 EPHX1 (0.47) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL7275924 0.77 KDM4E (0.49) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL27345872 0.77 SLC15A1 (0.44) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL7337442 0.77 KDM4E (0.49) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL7412831 0.76 SLC15A1 (0.50) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL6351074 0.76 SLC15A1 (0.43) EPHX1SLC15A1LAP3ANPEPCSNK1E
SCHEMBL7412834 0.76 SLC15A1 (0.50) EPHX1SLC15A1LAP3ANPEPCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1243576-B1 PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROMETHYLCARBINOL DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2006-10-11 EP disclosed
US-6646150-B1 Reacting 1,3-oxazolidin-5-one derivative with trialkyl-(trifluoromethyl)silane; removing trialkylsilyl group; reductive decyclization DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-11 US disclosed
EP-1243576-A1 PROCESSES FOR PRODUCING (AMINOMETHYL)TRIFLUOROCARBINOL DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-25 EP disclosed