SCHEMBL8922023

SCHEMBL8922023

CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1N.O=c1ccc2cccnc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.62
▸ 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
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ EPHA2 P29317 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ TBXAS1 P24557 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
SCHEMBL8126423 0.89 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8919126 0.88 DPP4 (0.47) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8385866 0.87 DPP4 (0.74) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8920068 0.87 DPP4 (0.53) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10654302 0.86 DPP4 (0.73) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8920926 0.86 DPP4 (0.54) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL6179417 0.78 DPP4 (0.67) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10655086 0.77 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10910288 0.77 DPP4 (0.74) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9687424 0.77 DPP4 (0.66) 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 4 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
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 — — WO disclosed
EP-0366643-A2 Novel antimicrobial dithiocarbamoyl quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 — — EP disclosed
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