SCHEMBL11527425

SCHEMBL11527425

CCCCNC(=NCCS)NC#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 11/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HRH2 P25021 3/20 0.36
QPCT Q16769 2/20 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
SCHEMBL11527422 1.00 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11527427 0.87 HRH4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11192767 0.84 HRH4 (0.46) HRH4BCHEACHEHRH2QPCT
SCHEMBL7753798 0.83 HRH4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7753802 0.83 HRH4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11527452 0.83 HRH4 (0.47) HRH4BCHEACHE
SCHEMBL11527451 0.83 HRH4 (0.47) HRH4BCHEACHE
SCHEMBL11511499 0.81 HRH4 (0.35) HRH4BCHEACHEHRH2QPCT
SCHEMBL11511501 0.81 HRH4 (0.35) HRH4BCHEACHEHRH2QPCT
SCHEMBL10839148 0.78 HRH4 (0.39) HRH4BCHEACHEHRH2QPCT

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
US-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed