SCHEMBL20177558

SCHEMBL20177558

COc1cc(F)c(C2Cc3nc4ccccc4n3C2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.45
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP9 Q86TI2 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL20177500 0.84 DPP4 (0.43) GRM2DPP4DPP7MAPTKDM4E
SCHEMBL20177583 0.74 FPR1 (0.41) GRM2DPP4DPP7DPP9FPR1
SCHEMBL20177498 0.74 CYP11B1 (0.34) FPR2LMNA
SCHEMBL20177493 0.69 ADRA1A (0.36) FPR1FPR2
SCHEMBL20177794 0.69 ADRA1A (0.61)
SCHEMBL20177825 0.69 ADRA1A (0.61)
SCHEMBL20177639 0.68 GRM2 (0.44) GRM2DPP4DPP7MAPTSMN1; SMN2
SCHEMBL20177496 0.68 GRM2 (0.44) GRM2DPP4DPP7MAPTSMN1; SMN2
SCHEMBL13342393 0.65 DPP4 (0.82) DPP4DPP7DPP9
SCHEMBL18117769 0.65 PDE4A (0.50) DPP4FPR1MAPTSMN1; SMN2KDM4E

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed