SCHEMBL9757281

SCHEMBL9757281

CCOC(=O)c1cn(C2CC2)c2nc(-n3cc4ccccc4c3)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 1/20 0.41
KMT2A Q03164 1/20 0.41
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40

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
SCHEMBL9757284 0.87 DPP4 (0.53) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL9757547 0.86 ADRB2 (0.45) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL9757400 0.85 DPP4 (0.66) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL5809336 0.84 ADRB2 (0.53) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL9437310 0.83 DPP4 (0.50) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL5422476 0.82 ADRB2 (0.51) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL10412649 0.82 ADRB2 (0.49) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL10653563 0.82 KMT2A (0.54) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL10654892 0.80 DPP4 (0.58) DPP4ADRB2CHRM2DRD1KDM4E
SCHEMBL10655952 0.80 DPP4 (0.50) DPP4ADRB2CHRM2DRD1KDM4E

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