SCHEMBL11527427

SCHEMBL11527427

CCCCN=C(NC#N)NCCS

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.40
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
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HRH2 P25021 6/20 0.36
QPCT Q16769 2/20 0.35
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 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
SCHEMBL11527425 0.87 GRIN2D (0.39) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11527422 0.87 GRIN2D (0.39) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7753802 0.83 HRH4 (0.45) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7753798 0.83 HRH4 (0.45) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11527455 0.83 BCHE (0.35) HRH4BCHEACHEQPCTHRH3
SCHEMBL11511503 0.81 HRH4 (0.35) HRH4BCHEACHEHRH2QPCT
SCHEMBL10839145 0.78 HRH4 (0.39) HRH4BCHEACHEHRH2QPCT
SCHEMBL10839148 0.78 HRH4 (0.39) HRH4BCHEACHEHRH2QPCT
SCHEMBL11509745 0.77 BCHE (0.35) HRH4BCHEACHEHRH2HRH1
SCHEMBL11527452 0.76 HRH4 (0.47) HRH4BCHEACHE

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