SCHEMBL2590822

SCHEMBL2590822

CC(C)CN(CCOc1ccc(-c2nc3cc[c]cc3o2)cc1)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.53
TLR7 Q9NYK1 5/20 0.47
PTPN1 P18031 3/20 0.44
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
TLR9 Q9NR96 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
SCHEMBL695589 0.75 NPC1 (0.52) GPR119PTPN1
SCHEMBL12396694 0.71 TLR7 (0.80) GPR119TLR7PTPN1CHRNB4CHRNA3
SCHEMBL2587313 0.70 GPR119 (1.00) GPR119
SCHEMBL141648 0.68 SMN1; SMN2 (0.48) GPR119PTPN1
SCHEMBL27652500 0.68 HDAC6 (0.47) GPR119PTPN1
SCHEMBL12396693 0.68 TLR7 (0.91) GPR119TLR7PTPN1CHRNB4CHRNA3
SCHEMBL29526066 0.68 TLR7 (0.91) GPR119TLR7PTPN1CHRNB4CHRNA3
SCHEMBL145632 0.68 SMN1; SMN2 (0.49) GPR119PTPN1
SCHEMBL12396692 0.66 TLR7 (0.83) GPR119TLR7PTPN1TLR9
SCHEMBL12397217 0.66 TLR7 (0.83) GPR119TLR7PTPN1TLR9

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-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP claimed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 WO claimed