SCHEMBL13781653

SCHEMBL13781653

CN(C)C(=O)N1CCCC(C(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL15298463 0.81 MAPT (0.37) GAARAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13781667 0.80 EPHX2 (0.46) SMN1; SMN2CYP2D6ALDH1A1KCNH2HRH3
SCHEMBL13781666 0.80 EPHX2 (0.46) SMN1; SMN2CYP2D6ALDH1A1KCNH2HRH3
SCHEMBL21340435 0.80 CYP2D6 (0.38) KMT2ASMN1; SMN2CYP2D6ALDH1A1KCNH2
SCHEMBL28240876 0.80 CYP2D6 (0.38) KMT2ASMN1; SMN2CYP2D6ALDH1A1KCNH2
SCHEMBL24777816 0.80 CYP2D6 (0.38) SMN1; SMN2CYP2D6ALDH1A1KCNH2HRH3
SCHEMBL9917273 0.80 EPHX2 (0.46) SMN1; SMN2CYP2D6ALDH1A1KCNH2HRH3
SCHEMBL13781646 0.79 CYP2D6 (0.41) KMT2AMEN1SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL12384401 0.79 ALDH1A1 (0.41) KMT2AMEN1CYP2D6ALDH1A1KCNH2
SCHEMBL23710179 0.79 ALDH1A1 (0.41) KMT2AMEN1CYP2D6ALDH1A1KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 — — US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 — — US disclosed
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