SCHEMBL6997330

SCHEMBL6997330

CCc1ccccc1Nc1ncc2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
F2 P00734 18/20 0.40
PRSS1 P07477 17/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
MASP2 O00187 1/20 0.38

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 SCHEMBL7996089 0.99 F10 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL7001946 0.98 F10 (0.41) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7995781 0.97 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL6991520 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL6997893 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL6994205 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7992373 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7992079 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7996059 0.94 F2 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL6995334 0.90 F2 (0.43) F10F2PRSS1PRSS2PRSS3

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