SCHEMBL7705487

SCHEMBL7705487

Nc1nccc2ccc(CNC(=O)[C@@H]3CCCN3C(=O)C(Cc3ccccc3)NCC(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.57
F11 P03951 7/20 0.57
PRSS1 P07477 1/20 0.44
F10 P00742 2/20 0.44
TMPRSS11D O60235 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLG P00747 1/20 0.42

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
SCHEMBL6438351 1.00 F2 (0.57) F2F11PRSS1F10TMPRSS11D
SCHEMBL6438356 1.00 F2 (0.57) F2F11PRSS1F10TMPRSS11D
SCHEMBL6438710 0.94 F2 (0.55) F2F11PRSS1F10
SCHEMBL6438717 0.94 F2 (0.55) F2F11PRSS1F10
SCHEMBL3767038 0.94 F11 (0.65) F2F11PRSS1F10CYP3A4
SCHEMBL6438340 0.94 F11 (0.65) F2F11PRSS1F10CYP3A4
SCHEMBL6440387 0.92 F11 (0.55) F2F11PRSS1F10PKM
SCHEMBL7955244 0.92 F11 (0.55) F2F11PRSS1F10PKM
SCHEMBL6440392 0.92 F11 (0.55) F2F11PRSS1F10PKM
Trifluoroacetic Acid SCHEMBL3765593 0.90 F11 (0.63) F2F11PRSS1F10CYP3A4

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