SCHEMBL4052686

SCHEMBL4052686

COCc1cc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 7/20 0.42
HTR2B P41595 1/20 0.40
TNKS O95271 3/20 0.39
MGLL Q99685 2/20 0.38
CFTR P13569 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4052205 0.91 RAB9A (0.44) TRPC6HTR2BTNKSNPC1RAB9A
SCHEMBL4051613 0.90 FLT3 (0.42) TRPC6HTR2BTNKSMGLLCFTR
SCHEMBL4562576 0.89 GPR119 (0.44) TRPC6
SCHEMBL4056519 0.89 TRPC6 (0.40) TRPC6TNKSMGLLCFTRRAB9A
SCHEMBL4562575 0.87 TRPC6 (0.35) TRPC6HTR2BTNKSCFTRPDE4A
SCHEMBL4051428 0.85 GPR119 (0.39) TRPC6MGLL
SCHEMBL4052952 0.83 PDE4A (0.36) TRPC6PDE4APDE4BPDE4CPDE4D
SCHEMBL4051853 0.81 GPR119 (0.44) TRPC6IKBKETBK1
SCHEMBL4368793 0.79 GPR119 (0.54)
SCHEMBL4050230 0.78 PDE4B (0.45) PDE4APDE4BPDE4CPDE4D

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
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed