SCHEMBL9522848

SCHEMBL9522848

CN1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.67
CHRM2 P08172 1/20 0.61
DRD1 P21728 1/20 0.61
LMNA P02545 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 2/20 0.57
ABCC4 O15439 1/20 0.57
EPHA2 P29317 1/20 0.50
FLT4 P35916 1/20 0.50
GSK3B P49841 1/20 0.50
RARB P10826 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DHFR P00374 1/20 0.49
CYP2C9 P11712 1/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49
TOP2A P11388 1/20 0.49

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
SCHEMBL9669861 0.93 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9150328 0.88 DPP4 (0.67) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9687424 0.87 DPP4 (0.66) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9148596 0.87 DPP4 (0.66) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9522864 0.87 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10377610 0.87 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin4 SCHEMBL9178841 0.86 DPP4 (0.72) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin4 SCHEMBL9184555 0.86 DPP4 (0.72) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin4 SCHEMBL9178854 0.86 DPP4 (0.72) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10551866 0.86 DPP4 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 WO disclosed