SCHEMBL23441833

SCHEMBL23441833

C=C(C)CC1CN(CC2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ SCN7A Q01118 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ SCN11A Q9UI33 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ GBA1 P04062 3/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL12717733 0.70 SCN1A (0.45) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL19232165 0.69 SCN1A (0.43) SCN1ASCN4ASCN7AKCNH2SCN5A
SCHEMBL12166729 0.69 SHBG (0.34) —
SCHEMBL25473566 0.68 — —
SCHEMBL7003406 0.67 — —
SCHEMBL12717649 0.67 — —
SCHEMBL14968294 0.67 — —
SCHEMBL3069324 0.66 EPHX1 (0.40) ACHECHRM5ADRA2C
SCHEMBL14354172 0.66 EPHX1 (0.40) ACHECHRM5ADRA2C
SCHEMBL28943741 0.65 DPP4 (0.31) —

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-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 — — WO disclosed
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