SCHEMBL18949787

SCHEMBL18949787

N[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
IDO1 P14902 3/20 0.43
CES2 O00748 2/20 0.43
TDO2 P48775 1/20 0.43
TACR1 P25103 9/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
GAA P10253 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
SCHEMBL27365771 0.87 PNMT (0.40) PNMTIDO1CES2TDO2TACR1
SCHEMBL23603132 0.80 CES2 (0.46) PNMTIDO1CES2TDO2TACR1
SCHEMBL657090 0.80 IDO1 (0.46) PNMTIDO1CES2TDO2TACR1
SCHEMBL4145700 0.80 CES2 (0.46) PNMTIDO1CES2TDO2TACR1
SCHEMBL15828511 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1
SCHEMBL15440915 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1
SCHEMBL3952470 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1
SCHEMBL15441184 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1
SCHEMBL531415 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1
SCHEMBL15441219 0.79 KDM4E (0.45) PNMTIDO1CES2TDO2TACR1

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-2837624-B1 4-SUBSTITUENT-2-HYDROXYLMORPHOLINE-3-ONE AND PREPARATION METHOD THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-27 EP disclosed
US-9676736-B2 4-substituent-2-hydroxylmorpholine-3-one and preparation method thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2017-06-13 US disclosed