SCHEMBL6996688

SCHEMBL6996688

CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.61
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL6996811 0.92 F2 (0.50) F2PRSS1PRSS2PRSS3RXFP1
Hydrochloric Acid SCHEMBL7978158 0.91 F2 (0.49) F2PRSS1PRSS2PRSS3RXFP1
SCHEMBL6990916 0.87 F2 (0.63) F2PRSS1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7990650 0.86 F2 (0.62) F2PRSS1ALDH1A1SMN1; SMN2
SCHEMBL6738372 0.82 F2 (0.47) F2PRSS1
SCHEMBL7297314 0.78 F2 (0.39) F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7978162 0.78 F2 (0.39) F2PRSS1PRSS2PRSS3
SCHEMBL7001605 0.78 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL7002402 0.78 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL6739800 0.77 F2 (0.49) 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-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed