SCHEMBL8942390

SCHEMBL8942390

CCNC1CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4nc3c2F)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
KCNH2 Q12809 5/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ABCC4 O15439 1/20 0.45
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8941979 0.91 DPP4 (0.50) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942227 0.91 DPP4 (0.47) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942201 0.89 KDM4E (0.41) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942063 0.88 LMNA (0.50) KDM4ELMNAHSD17B10ABCC4ALDH1A1
SCHEMBL8941996 0.87 KDM4E (0.40) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942162 0.86 DPP4 (0.56) DPP4CHRM2DRD1KCNH2KDM4E
Water SCHEMBL8942213 0.85 DPP4 (0.55) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942126 0.84 KDM4E (0.49) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL9775873 0.83 KDM4E (0.52) DPP4CHRM2DRD1KCNH2KDM4E
SCHEMBL8942012 0.83 DPP4 (0.46) DPP4CHRM2DRD1KCNH2KDM4E

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