SCHEMBL9416951

SCHEMBL9416951

CCCC(F)(F)P(=O)(CCCN)OCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.38
GABBR1 Q9UBS5 3/20 0.38
GABRR1 P24046 1/20 0.38
CYP1A2 P05177 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
FDPS P14324 2/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL9417030 0.75 MEN1 (0.33) MEN1KMT2ATSHR
SCHEMBL6351937 0.74 GABBR2 (0.50) GABBR2GABBR1GABRR1CYP1A2MEN1
Hydrochloric Acid SCHEMBL9417053 0.72 GABBR2 (0.48) GABBR2GABBR1GABRR1CYP1A2MEN1
Hydrochloric Acid SCHEMBL2422434 0.70 PNP (0.41) GABBR2GABBR1CYP1A2MEN1KMT2A
SCHEMBL15041913 0.70 TSHR (0.40) TSHRLPAR1LPAR3FDPSCYP3A4
SCHEMBL491488 0.68 PPARD (0.54) GABBR2GABBR1GABRR1CYP1A2MEN1
SCHEMBL15798054 0.67 PNP (0.39) TSHRLPAR1LPAR3LMNAFDPS
SCHEMBL9062818 0.67 GABBR2 (0.55) GABBR2GABBR1GABRR1CYP1A2MEN1
SCHEMBL5669782 0.65 CYP1A2 (0.44) GABBR2GABBR1GABRR1CYP1A2MEN1
SCHEMBL13725451 0.65 PPARD (0.59) GABBR2GABBR1GABRR1CYP1A2MEN1

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
US-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed
US-5190933-A Treatment of cognitive and memory disorders CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5064819-A Antidepressants, anxiolytic agents, GABA antagonists CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-5051524-A Treatment of a phosphinic acid with an anhydrous protic medium CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
US-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed