SCHEMBL7299596

SCHEMBL7299596

CCNC(=O)COC(NC(=O)[C@@H]1CCc2cnc(NCC(c3ccccc3)c3ccccc3)c(=O)n21)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ADORA2A P29274 9/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
PKM P14618 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
XIAP P98170 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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 SCHEMBL7989047 0.99 F2 (0.40) F2PRSS1PRSS2PRSS3ADORA2A
SCHEMBL7301539 0.91 F2 (0.37) F2PRSS1PRSS2PRSS3CYP2D6
SCHEMBL7292153 0.91 F2 (0.37) F2PRSS1PRSS2PRSS3CYP2D6
Hydrochloric Acid SCHEMBL7992390 0.90 F2 (0.36) F2PRSS1PRSS2PRSS3CYP2D6
Hydrochloric Acid SCHEMBL7992549 0.90 F2 (0.36) F2PRSS1PRSS2PRSS3CYP2D6
SCHEMBL7003541 0.90 F2 (0.42) F2PRSS1PRSS2PRSS3
SCHEMBL7297314 0.87 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7003544 0.87 MEN1 (0.32) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL7978162 0.86 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7000162 0.83 KMT2A (0.43) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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