SCHEMBL7645645

SCHEMBL7645645

NCCCP(=O)(O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
BLM P54132 2/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
PMP22 Q01453 1/20 0.54
GABBR2 O75899 3/20 0.50
GABBR1 Q9UBS5 3/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
GABRR1 P24046 1/20 0.45
FDPS P14324 2/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7648048 0.87 CYP1A2 (0.42) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL5140906 0.76 GABBR2 (0.56) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL6351937 0.76 GABBR2 (0.50) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL6360302 0.74 GABBR2 (0.54) LMNABLMCYP3A4NFKB1PMP22
Hydrochloric Acid SCHEMBL9417053 0.74 GABBR2 (0.48) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL10586239 0.71 GABBR2 (0.55) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL6355094 0.71 GABBR2 (0.55) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL35883 0.71
SCHEMBL9336332 0.70 GABBR2 (0.48) LMNABLMCYP3A4NFKB1PMP22
Phosphoric Acid SCHEMBL7888623 0.69 LMNA (0.94) LMNABLMCYP3A4NFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO claimed
US-5567840-A AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS CIBA-GEIGY CORPORATION (US) 1996-10-22 US claimed
EP-0399949-B1 Substituted aminoalkylphosphinic acids CIBA GEIGY AG (CH) 1995-04-12 EP claimed
EP-0399949-A1 Substituted aminoalkylphosphinic acids CIBA-GEIGY AG (CH) 1990-11-28 EP claimed
WO-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed
US-5567840-A AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
US-5461040-A Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain CIBA-GEIGY CORPORATION (US) 1995-10-24 US disclosed
EP-0399949-B1 Substituted aminoalkylphosphinic acids CIBA GEIGY AG (CH) 1995-04-12 EP disclosed
US-5281747-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
EP-0399949-A1 Substituted aminoalkylphosphinic acids CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed