SCHEMBL9645658

SCHEMBL9645658

NC1CCN(c2nc3c(cc2F)c(=O)c(OC(=O)O)cn3C2CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
DPP4 P27487 6/20 0.54
CHRM2 P08172 2/20 0.49
DRD1 P21728 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCC4 O15439 1/20 0.46
DHFR P00374 1/20 0.42
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL9838906 1.00 KMT2A (0.56) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL10745216 0.89 DPP4 (0.49) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL9647228 0.88 DPP4 (0.53) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL7850682 0.88 DPP4 (0.51) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL13576371 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL9838735 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL4575476 0.87 KMT2A (0.69) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL10377709 0.87 DPP4 (0.51) KMT2ADPP4CHRM2DRD1ALDH1A1
SCHEMBL10749699 0.87 DPP4 (0.50) KMT2ADPP4CHRM2DRD1LMNA
SCHEMBL9691077 0.87 KCNH2 (0.53) KMT2ADPP4CHRM2DRD1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235589-B1 USE OF QUINOLONE AND NAPHTHYRIDINE ANTIBIOTICS FOR THE MANUFACTURE OF OPHTHALMIC MEDICAMENTS WARNER-LAMBERT COMPANY (US) 1992-10-28 EP claimed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0391169-A2 Enantiomeric pure 7-(3-amino-1-pyrrolidinyl)-chinolon-and-naphthyridon carboxylic acids BAYER AG (DE) 1990-10-10 EP disclosed
EP-0268053-A1 Metal salts of 1-cyclopropylquinolonecarboxylic acids and medicaments containing them BAYER AG (DE) 1988-05-25 EP disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed