SCHEMBL8058417

SCHEMBL8058417

FC(F)(F)c1ccccc1C1=CCNC(CCc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.38
CNR2 P34972 4/20 0.36
USP1 O94782 3/20 0.36
WDR48 Q8TAF3 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
MME P08473 1/20 0.34

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
SCHEMBL7454616 0.84 HTR2C (0.41) SLC13A5CNR2
SCHEMBL7439313 0.81 MAOB (0.46) SLC13A5
SCHEMBL8540798 0.73 HTR2C (0.44) SLC13A5CNR2
SCHEMBL8542783 0.72 MAOB (0.42) SLC13A5
SCHEMBL5115977 0.72 HSD11B1 (0.38) HSD11B1
SCHEMBL6885675 0.72 MAOB (0.41) SLC13A5
SCHEMBL7453648 0.71 HTR2C (0.40)
SCHEMBL7100010 0.70 HTR2C (0.43)
Hydrochloric Acid SCHEMBL1742023 0.69 HTR2C (0.44)
SCHEMBL5497223 0.69 GRIN1 (0.36) TDP1HSD11B1

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-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP claimed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO claimed