SCHEMBL3905684

SCHEMBL3905684

N=C(N)c1ccc(CC(=O)C(=O)OC(=O)C(F)(F)F)c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.77
F2 P00734 3/20 0.77
PRSS1 P07477 4/20 0.43
MLYCD O95822 1/20 0.38
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL3902149 0.90 F10 (0.62) F10F2KLKB1
Trifluoroacetic Acid SCHEMBL3905673 0.88 F10 (0.92) F10F2PRSS1MLYCD
SCHEMBL13901249 0.87 F10 (1.00) F10F2PRSS1HPGDHSD17B10
SCHEMBL3899625 0.84 F10 (0.62) F10F2PRSS1
SCHEMBL6771710 0.82 F10 (0.52) F10F2PRSS1MLYCDKLKB1
Trifluoroacetic Acid SCHEMBL3902136 0.78 F10 (0.74) F10F2
SCHEMBL4687024 0.78 F10 (0.54) F10F2HPGDHSD17B10
SCHEMBL3912337 0.78 F10 (0.63) F10F2PRSS1MLYCD
SCHEMBL4685847 0.77 F10 (0.53) F10F2PRSS1KLKB1
SCHEMBL14132218 0.77 F10 (0.80) F10F2

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed