SCHEMBL8775460

SCHEMBL8775460

NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.64
CHRM2 P08172 2/20 0.57
DRD1 P21728 1/20 0.57
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ABCC4 O15439 1/20 0.53
KMT2A Q03164 1/20 0.49
EPHA2 P29317 1/20 0.49
FLT4 P35916 1/20 0.49
GSK3B P49841 1/20 0.49
RARB P10826 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
DHFR P00374 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
CHRM1 P11229 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL8322847 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10655820 0.89 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9572096 0.89 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL27484168 0.88 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9524135 0.88 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL27554040 0.88 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL27486245 0.87 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8325094 0.87 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL2114896 0.86 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8323268 0.86 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US claimed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP claimed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP claimed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed