SCHEMBL9670607

SCHEMBL9670607

O=C(O)Oc1cn(C2CC2)c2nc(N3CC4CCC3CN4)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ABCC4 O15439 1/20 0.41
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
NTRK1 P04629 1/20 0.36
DHFR P00374 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
POLB P06746 1/20 0.34
PRKD3 O94806 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9670593 0.94 DPP4 (0.46) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9839450 0.88 LMNA (0.50) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9670599 0.88 DPP4 (0.60) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10757394 0.84 DPP4 (0.48) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9866014 0.83 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9838693 0.83 DPP4 (0.45) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10874661 0.82 DPP4 (0.49) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9668903 0.82 DPP4 (0.47) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL9670834 0.81 DPP4 (0.46) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9216283 0.81 DPP4 (0.51) 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
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