SCHEMBL7764489

SCHEMBL7764489

N=C(N)NCCCC(NC(=O)CN)C(=O)O.O=C(CCl)CCl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.41
NOD1 Q9Y239 5/20 0.38
GNPAT O15228 1/20 0.38
SLC15A2 Q16348 1/20 0.36
EPHX2 P34913 2/20 0.35
NPY4R P50391 2/20 0.35
SHMT1 P34896 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
NPY5R Q15761 1/20 0.35
FOLH1 Q04609 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL29476474 0.93 C3AR1 (0.45) C3AR1NOD1GNPATSLC15A2EPHX2
SCHEMBL187696 0.93 C3AR1 (0.45) C3AR1NOD1GNPATSLC15A2EPHX2
SCHEMBL2116832 0.93 C3AR1 (0.45) C3AR1NOD1GNPATSLC15A2EPHX2
SCHEMBL4587702 0.92 C3AR1 (0.44) C3AR1NOD1GNPATSLC15A2EPHX2
SCHEMBL2815688 0.92 C3AR1 (0.44) C3AR1NOD1GNPATSLC15A2EPHX2
Benzene SCHEMBL6278673 0.90 C3AR1 (0.49) C3AR1NOD1GNPATSLC15A2EPHX2
SCHEMBL29875467 0.88 SLC15A2 (0.44) C3AR1NOD1GNPATSLC15A2NPY4R
SCHEMBL3952951 0.88 SLC15A2 (0.44) C3AR1NOD1GNPATSLC15A2NPY4R
SCHEMBL29875780 0.88 SLC15A2 (0.44) C3AR1NOD1GNPATSLC15A2NPY4R
SCHEMBL3952924 0.88 SLC15A2 (0.44) C3AR1NOD1GNPATSLC15A2NPY4R

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-1105475-A1 TISSUE FACTOR PROTEIN VARIANTS WITH INCREASED AFFINITY FOR COAGULATION FACTOR FVII/FVIIA Genentech, Inc. (US) 2001-06-13 EP disclosed
WO-2000004148-A1 TISSUE FACTOR PROTEIN VARIANTS WITH INCREASED AFFINITY FOR COAGULATION FACTOR FVII/FVIIA GENENTECH, INC. (US) 2000-01-27 WO disclosed