SCHEMBL8779309

SCHEMBL8779309

NCC(=O)NC(=O)Oc1nc(OCC(F)(F)F)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
HPGDS O60760 1/20 0.32
EPHX2 P34913 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.31
CYP2J2 P51589 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
DGAT1 O75907 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL8779270 0.89 CNR2 (0.31) CNR2
SCHEMBL8779424 0.84 MAPK8 (0.37) L3MBTL1POLBMAPK1MAPTALDH1A1
SCHEMBL8779132 0.82 ACACB (0.34) MAPTCYP2C19ALDH1A1
SCHEMBL8779178 0.81 PRKD3 (0.33) L3MBTL1POLBMAPTALDH1A1
SCHEMBL8779023 0.81 KDM4E (0.36) MAPTCYP1A2
SCHEMBL8883734 0.81 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTHPGDS
SCHEMBL8779244 0.80 LTA4H (0.44)
SCHEMBL8779211 0.80 MEN1 (0.40) L3MBTL1MAPK1MAPTCYP2C9CYP1A2
SCHEMBL8779296 0.80 MEN1 (0.33) ALDH1A1
SCHEMBL8779185 0.79 ACACB (0.37) MAPK1EPHX2ALDH1A1

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed