SCHEMBL3707752

SCHEMBL3707752

CN(C)CCN(C)c1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TAAR1 Q96RJ0 4/20 0.32
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
MEN1 O00255 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNMA1 Q12791 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8667138 0.85 MAPT (0.31)
SCHEMBL8666684 0.81 MAPT (0.42) MEN1KMT2A
SCHEMBL3785116 0.80 NOS1 (0.38) NOS1
SCHEMBL1419103 0.80 KCNA5 (0.32) MEN1KMT2A
SCHEMBL3709630 0.80 TSHR (0.34) TAAR1HTR2AHRH1MEN1TNNI3
SCHEMBL4467275 0.80 ADRA2A (0.35)
SCHEMBL28219781 0.78 HTR2A (0.34) TAAR1HTR2AHRH1
SCHEMBL6365451 0.76 LTA4H (0.34)
SCHEMBL8655739 0.76 HTR2A (0.31) HTR2AHRH1
SCHEMBL523503 0.75 HRH3 (0.36) NOS1HRH3TAAR1HTR2AHRH1

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-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed