SCHEMBL14720688

SCHEMBL14720688

COC(=O)c1cc(OCc2ccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.41
PKM P14618 1/20 0.39
OGA O60502 2/20 0.38
SMPD1 P17405 2/20 0.38
YAP1 P46937 3/20 0.37
HDAC2 Q92769 1/20 0.37
GRM5 P41594 1/20 0.36
TLR9 Q9NR96 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
SCHEMBL14721047 0.91 GPR119 (0.42) GPR119OGASMPD1YAP1HDAC2
SCHEMBL14722713 0.89 GPR119 (0.40) GPR119OGASMPD1HDAC2GRM5
SCHEMBL14720595 0.79 GPR119 (0.48) GPR119OGAHDAC2GRM5
SCHEMBL1602307 0.76 OGA (0.46) GPR119PKMOGAHDAC2GRM5
SCHEMBL14722870 0.76 OGA (0.40) OGASMPD1HDAC2
SCHEMBL7368481 0.75 FAAH (0.45) GPR119PKM
SCHEMBL15441571 0.75 YAP1 (0.52) GPR119YAP1HDAC2
SCHEMBL7447685 0.74 SCN9A (0.47) GPR119PKM
SCHEMBL14720589 0.74 GRM5 (0.43) GPR119OGAHDAC2GRM5
SCHEMBL7450118 0.74 GPR119 (0.51) GPR119

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-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed