SCHEMBL20183007

SCHEMBL20183007

Cn1cnc(Cn2cccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34

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
SCHEMBL22095647 0.71 SIGMAR1 (0.42)
SCHEMBL13320609 0.70
SCHEMBL2041524 0.70
SCHEMBL11890308 0.67 HRH4 (0.31) GRIN1GRIN2B
SCHEMBL12092488 0.67 GABRA1 (0.31)
SCHEMBL23026126 0.67 CBLB (0.34) GRIN1GRIN2B
SCHEMBL15727502 0.65
SCHEMBL13100186 0.64 PDE1A (0.31) GRIN1GRIN2B
SCHEMBL17943364 0.64 TSHR (0.30)
SCHEMBL21166113 0.63 GABRA1 (0.34)

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
WO-2018092921-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-24 WO disclosed