SCHEMBL7702459

SCHEMBL7702459

Nc1nccc2oc(CNC(=O)[C@@H]3CCCN3C[C@H](NCC(=O)O)c3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F11 P03951 3/20 0.37
PRSS1 P07477 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
PTGER4 P35408 1/20 0.34
AADAT Q8N5Z0 1/20 0.34

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
SCHEMBL6438914 0.85 F2 (0.45) F2ALDH1A1F11PRSS1
SCHEMBL6438918 0.85 F2 (0.45) F2ALDH1A1F11PRSS1
SCHEMBL7702468 0.82 ALDH1A1 (0.41) F2ALDH1A1SMN1; SMN2F11PRSS1
SCHEMBL6435588 0.81 F2 (0.39) F2ALDH1A1F11PRSS1
SCHEMBL6435578 0.81 F2 (0.39) F2ALDH1A1F11PRSS1
SCHEMBL6438847 0.80 F2 (0.47) F2ALDH1A1F11PRSS1
SCHEMBL6438838 0.80 F2 (0.47) F2ALDH1A1F11PRSS1
SCHEMBL6439145 0.79 F2 (0.48) F2ALDH1A1F11PRSS1
SCHEMBL6439144 0.79 F2 (0.48) F2ALDH1A1F11PRSS1
SCHEMBL6436703 0.78 F2 (0.45) F2ALDH1A1F11PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed