SCHEMBL9685657

SCHEMBL9685657

O=C(O)Oc1cn(C2CC2)c2nc(N3CCN(CCO)CC3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
DPP4 P27487 6/20 0.46
CHRM2 P08172 1/20 0.46
DRD1 P21728 1/20 0.46
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ABCC4 O15439 1/20 0.43
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41
EDNRA P25101 1/20 0.41
TARBP2 Q15633 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
Hydrochloric Acid SCHEMBL9685650 0.90 DPP4 (0.46) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL9686908 0.89 LMNA (0.51) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10378901 0.89 DPP4 (0.49) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL9686492 0.88 DHFR (0.59) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL10916126 0.88 DPP4 (0.49) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377709 0.88 DPP4 (0.51) DHFRDPP4CHRM2DRD1LMNA
Hydrochloric Acid SCHEMBL9686519 0.88 DPP4 (0.47) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377270 0.87 DPP4 (0.50) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL10377338 0.87 DPP4 (0.50) DHFRDPP4CHRM2DRD1LMNA
SCHEMBL9687317 0.85 DPP4 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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