SCHEMBL9757429

SCHEMBL9757429

COc1cccc2c1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.65
CHRM2 P08172 1/20 0.58
DRD1 P21728 1/20 0.58
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ABCC4 O15439 1/20 0.55
KMT2A Q03164 1/20 0.46
GSK3B P49841 3/20 0.45
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PIK3CG P48736 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
DHFR P00374 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9757609 0.87 DPP4 (0.61) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757162 0.87 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757404 0.87 DPP4 (0.69) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757539 0.86 DPP4 (0.57) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757406 0.85 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757546 0.83 KDM4E (0.52) KDM4ELMNAHSD17B10KMT2AGSK3B
SCHEMBL9316567 0.79 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL4247787 0.79 DPP4 (0.68) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377610 0.78 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9757284 0.78 DPP4 (0.53) DPP4CHRM2DRD1KDM4ELMNA

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