SCHEMBL3901944

SCHEMBL3901944

N=C(N)c1cccc(OCCN(C(=O)C(F)(F)F)c2ccc(C3CCCCC3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.44
F10 P00742 7/20 0.43
F2 P00734 4/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
PLG P00747 1/20 0.42
C1S P09871 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL3897218 0.88 F10 (0.49) PRSS1F10F2PRSS2PRSS3
SCHEMBL3903062 0.85 F10 (0.52) PRSS1F10F2PRSS2PRSS3
SCHEMBL3912117 0.84 PRSS1 (0.50) PRSS1F10F2PRSS2PRSS3
SCHEMBL3911553 0.84 F10 (0.51) PRSS1F10F2PRSS2PRSS3
SCHEMBL3896379 0.84 PRSS1 (0.50) PRSS1F10F2PRSS2PRSS3
SCHEMBL3899012 0.84 F10 (0.47) PRSS1F10F2PRSS2PRSS3
SCHEMBL5105097 0.83 F10 (0.62) PRSS1F10
SCHEMBL3895897 0.83 F10 (0.53) PRSS1F10F2PRSS2PRSS3
SCHEMBL3900626 0.83 F10 (0.53) PRSS1F10F2PRSS2PRSS3
SCHEMBL3907503 0.83 F10 (0.50) PRSS1F10F2PRSS2PRSS3

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 3 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
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed