SCHEMBL9757342

SCHEMBL9757342

NCc1ccc2cn(-c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.56
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ABCC4 O15439 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DHFR P00374 1/20 0.48
TOP2A P11388 4/20 0.44
TOP2B Q02880 4/20 0.44
KMT2A Q03164 1/20 0.43
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9764507 0.92 DPP4 (0.55) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9757400 0.86 DPP4 (0.66) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9757348 0.84 DPP4 (0.59) DPP4CHRM2DRD1KDM4EABCC4
Hydrochloric Acid SCHEMBL9757189 0.83 DPP4 (0.58) DPP4CHRM2DRD1KDM4EABCC4
Hydrochloric Acid SCHEMBL9757232 0.81 TOP2A (0.53) CHRM2KDM4EHSD17B10TOP2ATOP2B
SCHEMBL10874660 0.80 DPP4 (0.63) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL8844134 0.80 DPP4 (0.62) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL8844203 0.78 DPP4 (0.63) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL10876232 0.78 DPP4 (0.59) DPP4CHRM2DRD1KDM4EABCC4
Hydrochloric Acid SCHEMBL16212854 0.78 DPP4 (0.60) DPP4CHRM2DRD1KDM4EABCC4

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed