SCHEMBL4724684

SCHEMBL4724684

O=C(O)NCc1cc2ncc(N3CCSCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
EPHX2 P34913 8/20 0.35
CNR1 P21554 2/20 0.34
GCGR P47871 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 1/20 0.33
LMNA P02545 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
SCHEMBL339213 0.88 IDO1 (0.38) DPP4EPHX2SMN1; SMN2HPGDMAPK8
SCHEMBL339235 0.84 DPP4 (0.43) DPP4
SCHEMBL340129 0.81 ALDH1A1 (0.39) DPP4SMN1; SMN2HPGDMAPK8
SCHEMBL339781 0.78 ALDH1A1 (0.38) DPP4SMN1; SMN2HPGDMAPK8LMNA
SCHEMBL339323 0.78 ALDH1A1 (0.38) EPHX2SMN1; SMN2HPGDMAPK8
SCHEMBL338930 0.76 CRHR1 (0.41) DPP4SMN1; SMN2HPGDLMNA
SCHEMBL340037 0.74 DPP4 (0.39) DPP4CNR1LMNA
SCHEMBL339494 0.74 SLC2A1 (0.43) DPP4SMN1; SMN2HPGDLMNA
SCHEMBL339357 0.74 CRHR1 (0.39) DPP4LMNA
SCHEMBL1913178 0.74 PAK3 (0.41) DPP4

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-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO disclosed