SCHEMBL9757547

SCHEMBL9757547

CCOC(=O)c1cn(C2CC2)c2nc(-n3cc4ccc(CNC(C)=O)cc4c3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
DPP4 P27487 6/20 0.41
CHRM2 P08172 1/20 0.41
DRD1 P21728 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
DHFR P00374 1/20 0.36
GSK3B P49841 1/20 0.35
KMT2A Q03164 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
SCHEMBL9757551 0.86 DPP4 (0.45) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL9757281 0.86 DPP4 (0.51) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL9764507 0.78 DPP4 (0.55) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL10512881 0.78 DPP4 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10512899 0.78 DPP4 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10510646 0.78 DPP4 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10510639 0.78 DPP4 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL10510631 0.78 DPP4 (0.47) ADRB2DPP4CHRM2DRD1KDM4E
SCHEMBL9757342 0.77 DPP4 (0.56) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL10512525 0.77 DPP4 (0.46) ADRB2DPP4CHRM2DRD1KDM4E

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