SCHEMBL2484580

SCHEMBL2484580

C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(N(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 1.00
GRM1 Q13255 19/20 1.00
HTR2B P41595 2/20 0.78

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
SCHEMBL8004796 0.90 GRM5 (0.82) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL906518 0.90 GRM5 (0.81) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL2486027 0.89 GRM5 (1.00) GRM5GRM1HTR2B
SCHEMBL1636413 0.87 GRM5 (1.00) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL2482885 0.87 GRM5 (1.00) GRM5GRM1HTR2B
SCHEMBL1635771 0.87 GRM5 (1.00) GRM5GRM1HTR2B
SCHEMBL1635768 0.87 GRM5 (1.00) GRM5GRM1HTR2B
Hydrochloric Acid SCHEMBL2484386 0.87 GRM5 (1.00) GRM5GRM1HTR2B
SCHEMBL8005692 0.87 GRM5 (1.00) GRM5GRM1HTR2B
SCHEMBL8007136 0.87 GRM5 (1.00) 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 1 patent. 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