SCHEMBL7002944

SCHEMBL7002944

CCNC(=O)COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCc2cnc(NCC(c3ccccc3)c3ccccc3)c(=O)n21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
POLB P06746 1/20 0.35
P2RX7 Q99572 5/20 0.33
ADORA2A P29274 6/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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 SCHEMBL7992636 0.99 F2 (0.37) F2PRSS1PRSS2PRSS3OPRM1
SCHEMBL7000162 0.83 KMT2A (0.43) F2PRSS1PRSS2PRSS3P2RX7
Hydrochloric Acid SCHEMBL7989044 0.83 KMT2A (0.42) F2PRSS1PRSS2PRSS3P2RX7
SCHEMBL6999388 0.82 F2 (0.49) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7978078 0.81 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL7299596 0.79 F2 (0.40) F2PRSS1PRSS2PRSS3POLB
Hydrochloric Acid SCHEMBL7989047 0.79 F2 (0.40) F2PRSS1PRSS2PRSS3ADORA2A
SCHEMBL6994837 0.78 F2 (0.46) F2PRSS1PRSS2PRSS3POLB
Hydrochloric Acid SCHEMBL7989423 0.77 F2 (0.45) F2PRSS1PRSS2PRSS3POLB
SCHEMBL6994847 0.76 F2 (0.40) F2PRSS1PRSS2PRSS3POLB

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