SCHEMBL7094750

SCHEMBL7094750

NCC1CN(c2nc3c(cc2F)c(=O)cc(C(=O)O)n3C2CC2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
CHRM2 P08172 1/20 0.39
DRD1 P21728 1/20 0.39
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTPN11 Q06124 1/20 0.36
CHEK1 O14757 10/20 0.35
CHEK2 O96017 7/20 0.35
DHFR P00374 1/20 0.33

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
SCHEMBL9788973 0.80 DPP4 (0.61) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL10684474 0.77 KMT2A (0.37) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9684737 0.76 LMNA (0.47) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL6231254 0.75 DPP4 (0.69) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL5080335 0.72 KMT2A (0.46) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9088365 0.69 MAPKAPK3 (0.44) DPP4CHRM2DRD1
SCHEMBL9564483 0.68 PIK3CA (0.37) KMT2AHSD17B10
SCHEMBL10511660 0.66 KCNH2 (0.61) CHRM2KDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL10511928 0.66 KCNH2 (0.61) CHRM2KMT2AKDM4ELMNAHSD17B10
SCHEMBL10594808 0.65 CYP11B2 (0.35) KMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed