SCHEMBL2556629

SCHEMBL2556629

CC1(C)CNC(=O)N1c1cnc(I)cn1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35

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
SCHEMBL2560735 0.80 GRM5 (0.40) GRM5
SCHEMBL2559283 0.74 GRM5 (0.32) GRM5
SCHEMBL2515085 0.72 GRM5 (0.51) GRM5
SCHEMBL2560942 0.68 KDM4E (0.37) GRM5
SCHEMBL14844014 0.68 GRM5 (0.34) GRM5
SCHEMBL19402043 0.68 RPS6KA5 (0.35) GRM5
SCHEMBL2517074 0.68 GRM5 (0.56) GRM5
SCHEMBL2563575 0.67
SCHEMBL2556087 0.66 BPTF (0.41)
SCHEMBL14843988 0.65 CHRNB2 (0.43) GRM5

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-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed