SCHEMBL20762010

SCHEMBL20762010

CN1CCC(C[S+](N)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
ACHE P22303 2/20 0.32

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
SCHEMBL8321302 0.84 NCF1 (0.54) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL21290559 0.78
SCHEMBL8318039 0.74 NCF1 (0.46) NCF1
SCHEMBL26077312 0.72 CYP1A2 (0.37)
SCHEMBL21872364 0.72 CYP1A2 (0.37)
SCHEMBL18028798 0.72 CYP1A2 (0.37)
SCHEMBL12515 0.71
SCHEMBL24045632 0.70 NCF1 (0.41) NCF1
SCHEMBL20761407 0.70
Fluoride SCHEMBL30212826 0.69 NCF1 (0.56) NCF1GNAI3GNAO1GNAI1HRH3

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-2019034696-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed