SCHEMBL8941979

SCHEMBL8941979

CNC1CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4nc3c2F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
ABCC4 O15439 1/20 0.45
TOP2A P11388 3/20 0.45
TOP2B Q02880 3/20 0.45
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 2/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL8942390 0.91 DPP4 (0.47) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8941910 0.89 KDM4E (0.40) DPP4KDM4EHSD17B10LMNATOP2A
SCHEMBL8942162 0.89 DPP4 (0.56) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8942227 0.89 DPP4 (0.47) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8942009 0.88 KDM4E (0.38) DPP4CHRM2DRD1KDM4EHSD17B10
Water SCHEMBL8942213 0.88 DPP4 (0.55) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8942023 0.86 LMNA (0.51) KDM4EHSD17B10LMNAABCC4ALDH1A1
SCHEMBL9775873 0.86 KDM4E (0.52) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8942298 0.86 KDM4E (0.50) DPP4CHRM2DRD1KDM4EHSD17B10
SCHEMBL8942245 0.85 DPP4 (0.49) DPP4CHRM2DRD1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed