SCHEMBL8323225

SCHEMBL8323225

NC12C=CC=CC1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.57
CHRM2 P08172 2/20 0.53
DRD1 P21728 1/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCC4 O15439 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DHFR P00374 1/20 0.46
KMT2A Q03164 1/20 0.44
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
GSK3B P49841 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL8323226 0.89 DPP4 (0.46) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL8922004 0.83 EPHA2 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8323756 0.83 KDM4E (0.58) LMNAKDM4EHSD17B10ALDH1A1CYP2C9
SCHEMBL8324813 0.82 KCNH2 (0.53) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL9181756 0.81 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8319673 0.81 KCNH2 (0.61) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL9146400 0.81 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL8327861 0.81 ALDH1A1 (0.63) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL8322719 0.81 KCNH2 (0.50) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL8923177 0.80 KCNH2 (0.51) CHRM2LMNAKDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed