SCHEMBL906582

SCHEMBL906582

Cn1cc2cc(-c3nsc(NC(=O)C4CC4)c3Br)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.65
GRM1 Q13255 20/20 0.65
HTR2B P41595 2/20 0.53

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
SCHEMBL12204830 0.89 GRM5 (0.52) GRM5GRM1HTR2B
SCHEMBL1635758 0.88 GRM5 (0.71) GRM5GRM1HTR2B
SCHEMBL8004796 0.80 GRM5 (0.82) GRM5GRM1HTR2B
SCHEMBL8006252 0.80 GRM5 (0.82) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL2481388 0.79 GRM5 (1.00) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL906758 0.79 GRM5 (0.83) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL906518 0.79 GRM5 (0.81) GRM5GRM1HTR2B
SCHEMBL906668 0.78 GRM5 (0.46) GRM5GRM1HTR2B
SCHEMBL1637883 0.76 GRM5 (0.57) GRM5GRM1HTR2B
SCHEMBL906671 0.73 GRM5 (0.41) GRM5GRM1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed