SCHEMBL7868183

SCHEMBL7868183

O=[C]C(OCC(F)(F)F)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 3/20 0.35
TACR1 P25103 4/20 0.34
ACP3 P15309 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC6A3 Q01959 3/20 0.33
CACNA1C Q13936 2/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
FABP7 O15540 1/20 0.33
KCNK2 O95069 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SRC P12931 1/20 0.32
EEF2K O00418 1/20 0.32

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
SCHEMBL945729 0.79 IDO1 (0.35) ACP3IDO1TDO2SRC
SCHEMBL4080545 0.79 HTR2A (0.32) SLC6A2SLC6A4SLC6A3KCNH2SRC
SCHEMBL7116849 0.77 HTR2A (0.33) SLC6A2SLC6A4SLC6A3KCNH2SRC
SCHEMBL4080312 0.76 CES2 (0.33) SLC6A2SLC6A4SLC6A3KCNH2SRC
SCHEMBL9165581 0.76 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9165582 0.76 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4085556 0.76 HTR2A (0.32) SLC6A2SLC6A4SLC6A3KCNH2SRC
SCHEMBL2673956 0.76 SLC6A2 (0.45) SLC6A2SLC6A4TACR1SLC6A3IDO1
SCHEMBL8536881 0.76 L3MBTL1 (0.43) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8570863 0.75 TACR1 (0.41) SLC6A2SLC6A4TACR1ACP3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442560-A1 MAGNESIUM-CONTAINING OXYTOCIN FORMULATIONS AND METHODS OF USE Trigemina, Inc. (US) 2019-02-20 EP disclosed
WO-2018144596-A1 METHODS FOR IMPROVING THE COGNITIVE FUNCTIONS OF A SUBJECT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2017180781-A1 MAGNESIUM-CONTAINING OXYTOCIN FORMULATIONS AND METHODS OF USE TRIGEMINA, INC. (US) 2017-10-19 WO disclosed
EP-1126844-A1 USE OF THIAZOLIDINEDIONES DERIVATIVES FOR PREVENTING UTERINE CONTRACTIONS IN PREMATURE LABOUR OR LACTATION THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-08-29 EP disclosed
WO-2000025781-A1 USE OF THIAZOLIDINEDIONES DERIVATIVES FOR PREVENTING UTERINE CONTRACTIONS IN PREMATURE LABOUR OR LACTATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-05-11 WO disclosed