SCHEMBL4750167

SCHEMBL4750167

C[C@H](Cn1cc2ccccc2n1)OC(=O)N1CCN(C(=O)O[C@H](C)Cn2cc3ccccc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G7 Q13093 3/20 0.36
MGLL Q99685 3/20 0.36
ABHD6 Q9BV23 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TACR3 P29371 1/20 0.35
P2RY12 Q9H244 2/20 0.35
KDM5A P29375 1/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL4753615 0.78 HDAC8 (0.41) HTTSMN1; SMN2PLA2G7MGLLABHD6
SCHEMBL10173626 0.73 ALDH1A1 (0.39) HTTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL4751782 0.72 POLB (0.59) SMN1; SMN2MEN1KMT2APOLBTSHR
SCHEMBL8999777 0.69 GABRP (0.41) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4751942 0.68 HDAC8 (0.38) SMN1; SMN2MGLLMEN1KMT2APOLB
SCHEMBL27988389 0.68 KDM4E (0.51) KDM4E
SCHEMBL4284114 0.67 MCHR1 (0.35) KDM5ATSHR
SCHEMBL1774699 0.66 KDM4E (0.44) HTTMEN1KMT2AKDM4EHSD17B10
SCHEMBL4290291 0.65 MCHR1 (0.34) TSHR
SCHEMBL28251554 0.65 BRD4 (0.43) MEN1KMT2APOLBNPC1GAA

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed