SCHEMBL1637883

SCHEMBL1637883

CCn1cc2cc(-c3nsc(NC(=O)[C@@H]4C[C@H]4C)c3Br)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 0.57
GRM1 Q13255 20/20 0.57
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
SCHEMBL1635758 0.88 GRM5 (0.71) GRM5GRM1HTR2B
SCHEMBL4132855 0.78 GRM5 (0.36) GRM5GRM1HTR2B
SCHEMBL1839372 0.76 GRM1 (0.78) GRM5GRM1HTR2B
SCHEMBL1839370 0.76 GRM1 (0.78) GRM5GRM1HTR2B
SCHEMBL1839368 0.76 GRM1 (0.78) GRM5GRM1HTR2B
SCHEMBL906582 0.76 GRM5 (0.65) GRM5GRM1HTR2B
SCHEMBL12204830 0.75 GRM5 (0.52) GRM5GRM1HTR2B
SCHEMBL1838041 0.75 GRM1 (0.77) GRM5GRM1
SCHEMBL1838038 0.75 GRM1 (0.77) GRM5GRM1
SCHEMBL1838034 0.75 GRM1 (0.77) GRM5GRM1

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-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