SCHEMBL9686444

SCHEMBL9686444

O=C(O)Oc1cn(C2CC2)c2nc(N3CCNC(c4ccccc4)C3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
CHRM2 P08172 1/20 0.43
DRD1 P21728 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ABCC4 O15439 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL9685621 0.94 DPP4 (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9687446 0.90 DPP4 (0.43) DPP4CHRM2DRD1PDE10AGSK3B
SCHEMBL9686438 0.89 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9687790 0.87 KDM4E (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9687448 0.84 LMNA (0.55) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10510519 0.83 KDM4E (0.54) LMNAKDM4EHSD17B10CYP2C9ALDH1A1
SCHEMBL9685613 0.83 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10863653 0.83 KDM4E (0.53) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL10377709 0.81 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9636153 0.81 ALDH1A1 (0.53) CHRM2LMNAKDM4EHSD17B10KMT2A

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 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