SCHEMBL6990916

SCHEMBL6990916

O=C(NCc1cc(Cl)ccc1Cl)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.63
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 4/20 0.44
PRSS1 P07477 1/20 0.42
EPHX2 P34913 1/20 0.42

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 SCHEMBL7990650 0.99 F2 (0.62) F2RECQLALDH1A1SMN1; SMN2P2RX7
SCHEMBL6996688 0.87 F2 (0.61) F2ALDH1A1SMN1; SMN2PRSS1
SCHEMBL6738372 0.83 F2 (0.47) F2P2RX7PRSS1
SCHEMBL6739800 0.83 F2 (0.49) F2PRSS1
SCHEMBL7001605 0.82 F2 (0.54) F2PRSS1
SCHEMBL7298438 0.81 F2 (0.66) F2PRSS1
SCHEMBL6735050 0.81 F2 (0.42) F2ALDH1A1SMN1; SMN2P2RX7PRSS1
Hydrochloric Acid SCHEMBL7992275 0.81 F2 (0.54) F2PRSS1
Hydrochloric Acid SCHEMBL7978194 0.81 F2 (0.65) F2PRSS1
SCHEMBL6738115 0.81 F2 (0.49) F2PRSS1

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