SCHEMBL4707261

SCHEMBL4707261

COC(=O)Nc1ccc(-c2ccnc(C[C@H](N)c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
PSEN1 P49768 6/20 0.48
PSEN2 P49810 6/20 0.48
APH1B Q8WW43 6/20 0.48
NCSTN Q92542 6/20 0.48
APH1A Q96BI3 6/20 0.48
PSENEN Q9NZ42 6/20 0.48
PORCN Q9H237 1/20 0.48
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
WNT3A P56704 1/20 0.43

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
SCHEMBL1196058 0.80 F11 (0.62) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3614814 0.80 PORCN (0.48) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3413708 0.79 F11 (0.40) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL14072802 0.79 PORCN (0.49) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478939 0.78 F11 (0.41) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478940 0.78 F11 (0.41) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL16927500 0.77 PORCN (0.47) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3413631 0.77 PDGFRB (0.41) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3414366 0.74 F11 (0.44) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL3413549 0.74 F11 (0.42) F11KLKB1PRSS1PRSS2PRSS3

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-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed