SCHEMBL9686531

SCHEMBL9686531

CCN1CCN(c2nc3c(cc2Cl)c(=O)c(OC(=O)O)cn3C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
DPP4 P27487 6/20 0.39
DHFR P00374 1/20 0.39
CHRM2 P08172 1/20 0.38
DRD1 P21728 1/20 0.38
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
ABCC4 O15439 1/20 0.36
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9686868 0.91 DPP4 (0.37) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9687780 0.90 DPP4 (0.40) LMNAKDM4EHSD17B10DPP4DHFR
SCHEMBL9687474 0.89 DPP4 (0.37) LMNAALDH1A1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL9687485 0.89 DPP4 (0.40) LMNAKDM4EHSD17B10DPP4DHFR
Hydrochloric Acid SCHEMBL9686908 0.88 LMNA (0.51) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9686526 0.88 LMNA (0.56) LMNAALDH1A1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL9685666 0.87 DHFR (0.36) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9686958 0.86 LMNA (0.41) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9686860 0.82 KDM4E (0.44) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10873725 0.81 DPP4 (0.40) LMNAKDM4EHSD17B10DPP4DHFR

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