SCHEMBL9687511

SCHEMBL9687511

Nc1ccc(CN2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.62
DPP4 P27487 6/20 0.58
CHRM2 P08172 1/20 0.54
DRD1 P21728 1/20 0.54
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ABCC4 O15439 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C9 P11712 1/20 0.47
ATP6V1B2 P21281 1/20 0.47
TBXA2R P21731 1/20 0.47
EDNRA P25101 1/20 0.47
TARBP2 Q15633 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL9687517 0.89 DHFR (0.51) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL16213077 0.86 DPP4 (0.61) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10550396 0.84 DHFR (0.45) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL9686492 0.84 DHFR (0.59) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10551784 0.84 LMNA (0.66) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL25380867 0.83 DHFR (0.59) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL9837575 0.83 DPP4 (0.55) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL25379119 0.82 DHFR (0.58) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377708 0.82 DPP4 (0.66) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10548709 0.82 DHFR (0.57) DHFRDPP4CHRM2DRD1LMNA

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-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-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 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