SCHEMBL3986866

SCHEMBL3986866

CCS(=O)(=O)c1ccc(N)cc1C1C(C(=O)OCCC(C)(C)C)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
SHMT2 P34897 1/20 0.32
DDR1 Q08345 1/20 0.30
NR1H2 P55055 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
SCHEMBL3079269 0.89 SHMT2 (0.38) F7F3SHMT2
SCHEMBL3079834 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL3089693 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL3079034 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL3074571 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL3074566 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL8224134 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL11355508 0.80 NR1H2 (0.41) SHMT2NR1H2
SCHEMBL3091021 0.80 SHMT2 (0.37) SHMT2
SCHEMBL3073601 0.75 TDP1 (0.44)

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-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