SCHEMBL4052939

SCHEMBL4052939

COCc1cc(-c2ccc(C(=O)N3CCN(C)CC3)cn2)ccc1OCC1CCN(c2ncccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 14/20 0.44
GPR119 Q8TDV5 2/20 0.43
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TLR9 Q9NR96 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4051428 0.90 GPR119 (0.39) GPR119HPGD
SCHEMBL4052440 0.88 RBP4 (0.40) HPGD
SCHEMBL4050096 0.87 RAB9A (0.45) GPR119ALDH1A1HPGDKDM4E
SCHEMBL4054769 0.86 GPR119 (0.39) GPR119TLR8TLR7TLR9HPGD
SCHEMBL13691397 0.86 GPR119 (0.53) GPR119
SCHEMBL4562706 0.86 GPR119 (0.53) GPR119
SCHEMBL4056519 0.85 TRPC6 (0.40) SLC6A7TLR8TLR7ALDH1A1TSHR
SCHEMBL13691402 0.75 GPR119 (0.56) GPR119
SCHEMBL4052686 0.74 TRPC6 (0.42)
SCHEMBL4355713 0.74 SLC6A7 (0.44) SLC6A7GPR119ALDH1A1TSHRKDM4E

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