SCHEMBL4110657

SCHEMBL4110657

COC(=O)C1CCN(C(=O)O)C1c1cc(N)ccc1S(=O)(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.39
F3 P13726 11/20 0.39
F2 P00734 6/20 0.35
F10 P00742 6/20 0.35
F11 P03951 6/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
KLK1 P06870 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2912061 0.88 NR1H2 (0.41) F7F3CA1CA2CA4
SCHEMBL3077286 0.88 NR1H2 (0.41) F7F3CA1CA2CA4
SCHEMBL4338373 0.88 NR1H2 (0.41) F7F3CA1CA2CA4
SCHEMBL3083078 0.88 NR1H2 (0.41) F7F3CA1CA2CA4
SCHEMBL2913738 0.88 NR1H2 (0.41) F7F3CA1CA2CA4
SCHEMBL5531271 0.85 SLC6A4 (0.38) F7F3CA1CA2CA4
SCHEMBL3079269 0.78 SHMT2 (0.38) F7F3HSD17B10
SCHEMBL2916946 0.76 F7 (0.45) F7F3F2F10F11
SCHEMBL3091021 0.76 SHMT2 (0.37) TSHR
SCHEMBL13613432 0.76 SLC6A3 (0.35) F7F3F2F10F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed