SCHEMBL9670593

SCHEMBL9670593

O=C(O)Oc1cn(C2CC2)c2nc(N3CC4CC3CN4)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.46
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTRK1 P04629 3/20 0.37
MAP4K1 Q92918 3/20 0.37
MAP4K2 Q12851 1/20 0.36
STK4 Q13043 1/20 0.36
DHFR P00374 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PARP1 P09874 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9670607 0.94 DPP4 (0.47) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9670589 0.88 DPP4 (0.59) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9838674 0.86 LMNA (0.50) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9838693 0.84 DPP4 (0.45) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL10757394 0.83 DPP4 (0.48) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9839450 0.82 LMNA (0.50) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL10874661 0.82 DPP4 (0.49) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9748487 0.81 KDM4E (0.48) KDM4ELMNAHSD17B10
SCHEMBL9668903 0.81 DPP4 (0.47) DPP4CHRM2DRD1KDM4EABCC4
SCHEMBL9670973 0.81 KDM4E (0.48) KDM4ELMNAHSD17B10

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
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP claimed
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed