SCHEMBL2178276

SCHEMBL2178276

C1CCC(C2(CC3CC3)CCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN11A Q9UI33 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL11014349 0.95 SIGMAR1 (0.30)
SCHEMBL11010031 0.74 CYP1A2 (0.36)
SCHEMBL5183304 0.73 EPHX1 (0.32)
SCHEMBL331381 0.73 EPHX1 (0.32)
SCHEMBL11863846 0.73 TSHR (0.34) SCN1AKCNH2SCN2ASCN3A
SCHEMBL19315953 0.73 EPHX1 (0.32)
SCHEMBL2573206 0.73 CYP3A4 (0.34) SCN1AKCNH2SCN2ASCN3A
SCHEMBL2575329 0.73 CYP3A4 (0.34) SCN1AKCNH2SCN2ASCN3A
SCHEMBL10836392 0.73 CYP3A4 (0.34) SCN1AKCNH2SCN2ASCN3A
SCHEMBL737440 0.73

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-2519499-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2012-11-07 EP disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO disclosed