SCHEMBL10876239

SCHEMBL10876239

Nc1nc2c(cc1F)c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.45
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ABCC4 O15439 1/20 0.41
DHFR P00374 1/20 0.40
TOP2A P11388 5/20 0.39
TOP2B Q02880 5/20 0.39
DCK P27707 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4774919 0.86 DPP4 (0.44) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10876624 0.86 DPP4 (0.43) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10876232 0.85 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9533039 0.83 DPP4 (0.40) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10874661 0.83 DPP4 (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377709 0.83 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9837373 0.82 DPP4 (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377270 0.82 DPP4 (0.50) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377338 0.82 DPP4 (0.50) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9279265 0.82 DPP4 (0.42) DPP4CHRM2DRD1KDM4ELMNA

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-0203488-A2 7-Azolyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinoline carboxylic acids and 1,8-naphthyridine carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-12-03 EP disclosed