SCHEMBL4562575

SCHEMBL4562575

COCc1cc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)ccc1OCC1CCN(C(=O)O)C(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 7/20 0.35
CFTR P13569 1/20 0.35
TNKS O95271 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR2B P41595 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM1A O60341 2/20 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
SCHEMBL4052686 0.87 TRPC6 (0.42) TRPC6CFTRTNKSHTR2BPDE4A
SCHEMBL4051613 0.83 FLT3 (0.42) TRPC6CFTRTNKSTLR9TLR8
SCHEMBL4562576 0.83 GPR119 (0.44) TRPC6
SCHEMBL4052205 0.81 RAB9A (0.44) TRPC6TNKSHTR2B
SCHEMBL4056519 0.81 TRPC6 (0.40) TRPC6CFTRTNKSTLR8TLR7
SCHEMBL4051428 0.73 GPR119 (0.39) TRPC6HRH3
SCHEMBL4052952 0.71 PDE4A (0.36) TRPC6TDP1PDE4APDE4BPDE4C
SCHEMBL4368793 0.71 GPR119 (0.54)
SCHEMBL4562706 0.70 GPR119 (0.53)
SCHEMBL4052440 0.69 RBP4 (0.40) HRH3

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