SCHEMBL12952979

SCHEMBL12952979

Nc1ccc(-c2nc3c(s2)CN(CC(=O)N2CCN(C4CCC4)CC2)CC3)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.39
DPP8 Q6V1X1 7/20 0.39
DPP7 Q9UHL4 7/20 0.39
DPP9 Q86TI2 6/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HRH3 Q9Y5N1 5/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL1014813 0.91 DPP4 (0.38) DPP4DPP8DPP7DPP9TLR9
SCHEMBL1602971 0.87 DPP4 (0.47) DPP4DPP8DPP7DPP9TLR9
SCHEMBL12953419 0.86 RAB9A (0.44) DPP4DPP8DPP7DPP9TLR9
SCHEMBL1017044 0.85 NPC1 (0.42) DPP4DPP8DPP7DPP9NPC1
SCHEMBL1016633 0.85 DPP4 (0.44) DPP4DPP8DPP7DPP9TLR9
SCHEMBL1020593 0.85 DPP4 (0.41) DPP4DPP8DPP7DPP9TLR9
SCHEMBL12953415 0.84 RAB9A (0.43) DPP4DPP8DPP7DPP9TLR9
SCHEMBL1017927 0.84 DPP4 (0.47) DPP4DPP8DPP7DPP9TLR9
SCHEMBL1017930 0.84 PDCD1 (0.42) NPC1RAB9AHRH3IRAK4ALDH1A1
SCHEMBL1017188 0.83 NPC1 (0.42) DPP4DPP8DPP7DPP9TLR9

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-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed