SCHEMBL6861748

SCHEMBL6861748

COc1ccc(N2CC(CSCCCSc3ccnc(CCl)c3C)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.45
SIGMAR1 Q99720 13/20 0.39

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
SCHEMBL6871054 0.92 GRM2 (0.46) GRM2SIGMAR1
SCHEMBL6868481 0.84 GRM2 (0.37) GRM2SIGMAR1
SCHEMBL6871125 0.83 IRAK4 (0.32)
Hydrochloric Acid SCHEMBL6869839 0.82 IRAK4 (0.31)
Hydrochloric Acid SCHEMBL7672182 0.79
SCHEMBL6861636 0.76 IRAK4 (0.35)
SCHEMBL6861651 0.70 GRM2 (0.67) GRM2SIGMAR1
SCHEMBL7299902 0.68 GRM2 (0.71) GRM2SIGMAR1
SCHEMBL7293315 0.68 GRM2 (0.67) GRM2SIGMAR1
Hydrochloric Acid SCHEMBL6868492 0.68 MAOA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed