SCHEMBL8568678

SCHEMBL8568678

CC(CNC(=O)OC(C)(C)C)C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 1/20 0.51
DRD1 P21728 1/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ABCC4 O15439 1/20 0.50
KCNH2 Q12809 4/20 0.47
DHFR P00374 1/20 0.44
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL8925822 0.89 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9079097 0.89 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8925290 0.89 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8925416 0.89 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9457172 0.89 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8567141 0.87 KMT2A (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8567576 0.85 KCNH2 (0.59) CHRM2LMNAKDM4EHSD17B10KCNH2
SCHEMBL8565924 0.85 KDM4E (0.60) LMNAKDM4EHSD17B10KCNH2CYP2C9
SCHEMBL16213290 0.84 DPP4 (0.52) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10389874 0.84 DPP4 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559752-B1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1998-01-28 EP disclosed
US-5364861-A Bactericides with side effect reduction WARNER-LAMBERT COMPANY (US) 1994-11-15 US disclosed
US-5278317-A Aminomethylpyrrole WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed
EP-0559752-A1 OPTICAL ISOMERS OF 7- 3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 EP disclosed
US-5157128-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-10-20 US disclosed
WO-1992009597-A1 OPTICAL ISOMERS OF 7-[3-(1,1-DIALKYLMETHYL-1-AMINO-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 WO disclosed
US-5072001-A Bactericides WARNER-LAMBERT COMPANY (US) 1991-12-10 US disclosed