SCHEMBL6995334

SCHEMBL6995334

CCc1ccccc1Nc1ncc2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.43
PRSS1 P07477 16/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
F10 P00742 2/20 0.41
MASP2 O00187 1/20 0.39
KLKB1 P03952 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
Hydrochloric Acid SCHEMBL7978022 0.99 F2 (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL6994205 0.92 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL6997893 0.92 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL6991520 0.92 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7996059 0.91 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7992079 0.91 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7992373 0.91 F2 (0.43) F2PRSS1PRSS2PRSS3F10
SCHEMBL7001946 0.90 F10 (0.41) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7995781 0.90 F10 (0.41) F2PRSS1PRSS2PRSS3F10
SCHEMBL6997330 0.90 F10 (0.41) F2PRSS1PRSS2PRSS3F10

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-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed