SCHEMBL7708322

SCHEMBL7708322

Nc1nccc2cc(CNC(=O)C3CCCN3C(=O)C(NC(=O)Cc3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.60
F2 P00734 9/20 0.60
F7 P08709 7/20 0.48
F3 P13726 3/20 0.48
F10 P00742 4/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
F12 P00748 3/20 0.46
F9 P00740 1/20 0.46
KLKB1 P03952 2/20 0.45
KLK1 P06870 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6435697 1.00 F11 (0.60) F11F2F7F3F10
SCHEMBL6439323 0.89 F11 (0.62) F11F2F7F3F10
SCHEMBL6438813 0.89 F11 (0.62) F11F2F7F3F10
SCHEMBL6438817 0.89 F11 (0.62) F11F2F7F3F10
SCHEMBL7711114 0.88 F11 (0.62) F11F2F7F3F10
SCHEMBL6436658 0.88 F11 (0.62) F11F2F7F3F10
SCHEMBL6436777 0.88 F11 (0.61) F11F2F7F3F10
SCHEMBL6435693 0.87 F11 (0.59) F11F2F7F3F10
SCHEMBL6435689 0.87 F11 (0.59) F11F2F7F3F10
SCHEMBL6440443 0.87 F11 (0.58) F11F2F7F3F10

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