SCHEMBL13470872

SCHEMBL13470872

CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCCCC4)cnc3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TP53 P04637 3/20 0.47
TRPV1 Q8NER1 2/20 0.46
ACKR3 P25106 1/20 0.45
SIRT1 Q96EB6 1/20 0.44
MCHR1 Q99705 6/20 0.43
HTR2C P28335 3/20 0.43
HDAC1 Q13547 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL2740319 0.92 CHRM3 (0.49) MAPTTP53ACKR3SIRT1MCHR1
SCHEMBL2740387 0.92 MAPT (0.46) MAPTTP53SIRT1MCHR1NPC1
SCHEMBL12342558 0.87 MCHR1 (0.51) MAPTTP53TRPV1MCHR1HTR2C
SCHEMBL13470807 0.86 OPRM1 (0.47) MAPTTP53ACKR3HDAC1
SCHEMBL12342567 0.85 MCHR1 (0.47) MAPTTP53MCHR1HTR2CHDAC1
SCHEMBL12342717 0.83 MCHR1 (0.46) MAPTTP53MCHR1HTR2CHDAC1
SCHEMBL12342702 0.82 MCHR1 (0.48) TRPV1MCHR1HTR2CHDAC1
SCHEMBL12342551 0.80 HDAC1 (0.49) MAPTTP53SIRT1MCHR1HTR2C
SCHEMBL12342542 0.80 HDAC1 (0.49) MAPTTP53MCHR1HTR2CHDAC1
SCHEMBL12342651 0.79 NTRK3 (0.49) MAPTTP53ACKR3SIRT1MCHR1

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
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed