SCHEMBL9686868

SCHEMBL9686868

CCCCN1CCN(c2nc3c(cc2Cl)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.37
DHFR P00374 1/20 0.37
CHRM2 P08172 1/20 0.36
DRD1 P21728 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BCL2A1 Q16548 1/20 0.35
ABCC4 O15439 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9686531 0.91 LMNA (0.43) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9687474 0.90 DPP4 (0.37) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9686864 0.89 DPP4 (0.47) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9687780 0.88 DPP4 (0.40) DPP4DHFRCHRM2DRD1KDM4E
Hydrochloric Acid SCHEMBL9687485 0.87 DPP4 (0.40) DPP4DHFRCHRM2DRD1KDM4E
Hydrochloric Acid SCHEMBL9685666 0.87 DHFR (0.36) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9686958 0.83 LMNA (0.41) DPP4DHFRCHRM2DRD1KDM4E
Hydrochloric Acid SCHEMBL9686908 0.80 LMNA (0.51) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9685657 0.80 DHFR (0.48) DPP4DHFRCHRM2DRD1KDM4E
SCHEMBL9686526 0.79 LMNA (0.56) DPP4DHFRCHRM2DRD1KDM4E

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