SCHEMBL18239382

SCHEMBL18239382

NC1CCC(C(=O)c2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.52
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
SARM1 Q6SZW1 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
SIRT4 Q9Y6E7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7447435 0.92 SLC18A3 (0.58) SLC18A3F7F3SARM1SIRT2
SCHEMBL9665275 0.85 SLC18A3 (0.56) SLC18A3F7F3SARM1SIRT2
SCHEMBL8245353 0.85 SLC18A3 (0.56) SLC18A3F7F3SARM1SIRT2
SCHEMBL5046019 0.83 SLC18A3 (0.54) SLC18A3F7F3SARM1SIRT2
SCHEMBL9668119 0.83 SLC18A3 (0.54) SLC18A3F7F3SARM1SIRT2
SCHEMBL4670842 0.82 SLC18A3 (0.53) SLC18A3F7F3SARM1SIRT2
SCHEMBL4670846 0.81 SLC18A3 (0.52) SLC18A3F7F3SARM1SIRT2
SCHEMBL2427999 0.81 SLC18A3 (0.52) SLC18A3F7F3SARM1SIRT2
SCHEMBL15563729 0.81 SLC18A3 (0.52) SLC18A3F7F3SARM1SIRT2
SCHEMBL18239397 0.80 CHRNB2 (0.57) SLC18A3F7F3SARM1SIRT2

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-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed