SCHEMBL14720478

SCHEMBL14720478

COC(=O)c1ccc(C=C2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
KMT2A Q03164 4/20 0.41
PKM P14618 1/20 0.41
NR1H2 P55055 1/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
F13A1 P00488 2/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
OGA O60502 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
SCHEMBL14720686 0.83 GRM5 (0.47) GRM5GPR119KMT2ANR1H2MAPT
SCHEMBL25391413 0.83 GRM5 (0.49) GRM5KMT2AMAPTTP53MEN1
SCHEMBL31288438 0.83 GRM5 (0.49) GRM5KMT2AMAPTTP53MEN1
SCHEMBL1602307 0.82 OGA (0.46) GRM5GPR119KMT2APKMNR1H2
SCHEMBL20333548 0.79 KMT2A (0.46) GRM5KMT2APKMNR1H2MAPT
SCHEMBL20304926 0.79 KMT2A (0.46) GRM5KMT2APKMNR1H2MAPT
SCHEMBL20304927 0.79 KMT2A (0.46) GRM5KMT2APKMNR1H2MAPT
SCHEMBL15051069 0.78 GPR119 (0.53) GRM5GPR119MAPTMAPK1SMN1; SMN2
SCHEMBL14720690 0.78 KMT2A (0.45) GRM5KMT2APKMNR1H2MAPT
SCHEMBL23868370 0.78 MAPT (0.50) GRM5GPR119NR1H2MAPTKDM4E

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