SCHEMBL8920926

SCHEMBL8920926

NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1Cl.O=c1ccc2cccnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
CHRM2 P08172 1/20 0.52
DRD1 P21728 1/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ABCC4 O15439 1/20 0.51
DHFR P00374 1/20 0.42
EPHA2 P29317 1/20 0.40
FLT4 P35916 1/20 0.40
GSK3B P49841 1/20 0.40
RARB P10826 1/20 0.40
TBXAS1 P24557 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PIK3CG P48736 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8386360 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10511235 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10511213 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8386364 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8386356 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10510383 0.86 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512768 0.86 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512740 0.86 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10510406 0.86 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10510396 0.86 DPP4 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed