SCHEMBL7702444

SCHEMBL7702444

CN(C(=O)[C@@H]1CCN1C(=O)C(NCC(=O)OC(C)(C)C)c1ccccc1)c1cc2c(N)nccc2s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
F2 P00734 4/20 0.35
F10 P00742 3/20 0.35
F11 P03951 1/20 0.35
FAP Q12884 2/20 0.35
USP30 Q70CQ3 2/20 0.34
STAT6 P42226 3/20 0.34
STAT5A P42229 2/20 0.34
STAT5B P51692 2/20 0.34
PREP P48147 1/20 0.33
F2RL3 Q96RI0 2/20 0.33
PRSS1 P07477 3/20 0.32

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
SCHEMBL6439829 0.84 F2 (0.36) F7F3F2F10F11
SCHEMBL6439832 0.84 F2 (0.36) F7F3F2F10F11
SCHEMBL7699519 0.84 F2 (0.36) F7F3F2F10F11
SCHEMBL6436664 0.81 F2 (0.41) F7F3F2F10F11
SCHEMBL6436662 0.81 F2 (0.41) F7F3F2F10F11
SCHEMBL7705499 0.77 F2 (0.36) F2F11STAT6STAT5ASTAT5B
SCHEMBL6438912 0.72 KCNH2 (0.45) F7F3F2F10F11
SCHEMBL6438909 0.72 KCNH2 (0.45) F7F3F2F10F11
SCHEMBL6436257 0.70 F2 (0.47) F7F2F10F11PRSS1
SCHEMBL6436260 0.70 F2 (0.47) F7F2F10F11PRSS1

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