SCHEMBL6603661

SCHEMBL6603661

O=C(O)c1cn(C2CC2)c2nc3cc(Cl)c(F)cc3cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.53
TOP2A P11388 7/20 0.47
TOP2B Q02880 7/20 0.47
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ABCC4 O15439 1/20 0.43
MAPT P10636 1/20 0.42
PIK3CG P48736 1/20 0.41

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
SCHEMBL8942120 0.91 DPP4 (0.53) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL7231247 0.85 ADRB2 (0.46) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9279260 0.83 DPP4 (0.55) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL500472 0.83 DPP4 (0.57) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL7230355 0.82 LMNA (0.39) DPP4TOP2ATOP2BALDH1A1POLB
SCHEMBL8942340 0.82 DPP4 (0.54) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL8941911 0.81 KDM4E (0.47) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9526209 0.81 KDM4E (0.68) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9775862 0.81 ALDH1A1 (0.55) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL6215444 0.80 DPP4 (0.52) DPP4TOP2ATOP2BCHRM2DRD1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140932-B1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AVENTIS PHARMA SA (FR) 2004-03-17 EP disclosed
EP-1140932-A1 1,8-BENZONAPHTHYRIDINE DERIVATIVES Aventis Pharma S.A. (FR) 2001-10-10 EP disclosed
WO-2000037467-A1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2000-06-29 WO disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed