SCHEMBL8453034

SCHEMBL8453034

CC(=O)c1ccc(OCCCCOc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.73
F2 P00734 1/20 0.68
PLG P00747 1/20 0.68
PRSS2 P07478 1/20 0.68
C1S P09871 1/20 0.68
PRSS3 P35030 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 1/20 0.60
F10 P00742 1/20 0.60

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
SCHEMBL14599540 0.87 PRSS1 (0.88) PRSS1F2PLGPRSS2C1S
SCHEMBL14599539 0.84 PRSS1 (1.00) PRSS1F2PLGPRSS2C1S
SCHEMBL12989513 0.84 PRSS1 (1.00) PRSS1F2PLGPRSS2C1S
SCHEMBL14599537 0.84 PRSS1 (1.00) PRSS1F2PLGPRSS2C1S
SCHEMBL14131782 0.84 F10 (0.86) PRSS1F2PLGPRSS2C1S
SCHEMBL13813622 0.83 PRSS1 (0.81) PRSS1F2PLGPRSS2C1S
SCHEMBL14132297 0.81 PRSS1 (0.73) PRSS1F2PLGPRSS2C1S
SCHEMBL11737749 0.81 MAOB (0.69) PRSS1F2PLGPRSS2C1S
SCHEMBL29079516 0.80 PRSS1 (0.85) PRSS1F2PLGPRSS2C1S
SCHEMBL12989612 0.80 PRSS1 (0.90) PRSS1F2PLGPRSS2C1S

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625138-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS WITH LTB4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INT (DE) 1999-06-02 EP disclosed
EP-0902013-A1 Novel amidine derivatives, their preparation and their use as medicaments with LTB-4 antagonistic effect BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1999-03-17 EP disclosed
EP-0625138-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1994-11-23 EP disclosed
WO-1993016036-A1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDIAMENTS WITH LTB-4 ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM KG (DE) 1993-08-19 WO disclosed