SCHEMBL9686423

SCHEMBL9686423

O=CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.63
CHRM2 P08172 1/20 0.56
DRD1 P21728 1/20 0.56
DHFR P00374 1/20 0.54
LMNA P02545 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ABCC4 O15439 1/20 0.52
CYP2C9 P11712 2/20 0.51
ATP6V1B2 P21281 1/20 0.51
TBXA2R P21731 1/20 0.51
EDNRA P25101 1/20 0.51
TARBP2 Q15633 1/20 0.51
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL10377708 0.89 DPP4 (0.66) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377610 0.88 DPP4 (0.62) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377719 0.88 DPP4 (0.65) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL10377337 0.88 DPP4 (0.65) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9686428 0.87 DPP4 (0.49) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL3137436 0.87 DPP4 (0.53) DPP4CHRM2DRD1DHFRLMNA
Hydrochloric Acid SCHEMBL10551866 0.87 DPP4 (0.61) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL9687603 0.86 KDM4E (0.66) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL311935 0.86 LMNA (0.68) DPP4CHRM2DRD1DHFRLMNA
SCHEMBL11022634 0.86 DPP4 (0.68) DPP4CHRM2DRD1DHFRLMNA

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 4 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
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US 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