SCHEMBL4056519

SCHEMBL4056519

COCc1cc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)ccc1OCC1CCN(c2ncccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC6A7 Q99884 3/20 0.39
TNKS O95271 2/20 0.39
CFTR P13569 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MGLL Q99685 1/20 0.37

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 0.89 TRPC6 (0.42) TRPC6TNKSCFTRRAB9AMGLL
SCHEMBL4051613 0.87 FLT3 (0.42) TRPC6TNKSCFTRTLR8TLR7
SCHEMBL4052205 0.87 RAB9A (0.44) TRPC6TNKSRAB9ANPSR1ALDH1A1
SCHEMBL4562576 0.85 GPR119 (0.44) TRPC6
SCHEMBL4052939 0.85 SLC6A7 (0.44) SLC6A7TLR8TLR7KDM4ETSHR
SCHEMBL4562575 0.81 TRPC6 (0.35) TRPC6TNKSCFTRTLR8TLR7
SCHEMBL4051428 0.74 GPR119 (0.39) TRPC6HPGDMGLL
SCHEMBL4368793 0.74 GPR119 (0.54)
SCHEMBL4052440 0.73 RBP4 (0.40) HPGD
SCHEMBL4052952 0.73 PDE4A (0.36) TRPC6

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