SCHEMBL8568673

SCHEMBL8568673

CC(C)(C)OC(=O)NC(C)(C)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.53
CHRM2 P08172 1/20 0.52
DRD1 P21728 1/20 0.52
KDM4E B2RXH2 4/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ABCC4 O15439 1/20 0.51
KMT2A Q03164 1/20 0.46
DHFR P00374 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42

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
SCHEMBL8568681 1.00 DPP4 (0.53) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8570473 1.00 DPP4 (0.53) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8566116 0.88 DPP4 (0.57) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8566644 0.88 DPP4 (0.57) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10389874 0.87 DPP4 (0.54) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10390706 0.87 DPP4 (0.54) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10389873 0.87 DPP4 (0.54) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9182597 0.86 DPP4 (0.53) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9182588 0.86 DPP4 (0.53) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9182591 0.86 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 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