SCHEMBL7850682

SCHEMBL7850682

N[C@H]1C[C@H]2CCN(c3nc4c(cc3F)c(=O)c(OC(=O)O)cn4C3CC3)C[C@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ABCC4 O15439 1/20 0.43
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 1/20 0.42
RARB P10826 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DHFR P00374 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL7850679 0.89 DPP4 (0.65) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9066624 0.89 DPP4 (0.65) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9066534 0.89 DPP4 (0.65) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9838906 0.88 KMT2A (0.56) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9645658 0.88 KMT2A (0.56) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL7853994 0.87 KMT2A (0.43) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL10745216 0.84 DPP4 (0.49) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9691077 0.84 KCNH2 (0.53) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL9647228 0.83 DPP4 (0.53) DPP4CHRM2DRD1KMT2AKDM4E
SCHEMBL7850124 0.83 KDM4E (0.49) KDM4ELMNAHSD17B10ALDH1A1HPGD

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-0677050-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVES CHEIL JEDANG CORP (KR) 2001-08-16 EP claimed