SCHEMBL8941888

SCHEMBL8941888

NC1(c2ccccc2)CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4nc3c2F)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.53
KCNH2 Q12809 2/20 0.44
CHRM2 P08172 2/20 0.42
DRD1 P21728 1/20 0.42
TOP2A P11388 7/20 0.41
TOP2B Q02880 7/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ABCC4 O15439 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8942245 0.88 DPP4 (0.49) DPP4KCNH2CHRM2DRD1TOP2A
SCHEMBL8942189 0.87 HPGD (0.38) DPP4KCNH2TOP2ATOP2BALDH1A1
SCHEMBL8942054 0.85 KDM4E (0.46) DPP4KCNH2TOP2ATOP2BALDH1A1
SCHEMBL8942036 0.85 LMNA (0.48) ALDH1A1POLBKDM4ELMNAHSD17B10
SCHEMBL8942019 0.85 DPP4 (0.36) DPP4KCNH2TOP2ATOP2BKDM4E
SCHEMBL8941988 0.85 DPP4 (0.36) DPP4KCNH2TOP2ATOP2BALDH1A1
SCHEMBL8941957 0.84 DPP4 (0.51) DPP4KCNH2CHRM2DRD1TOP2A
SCHEMBL8942162 0.83 DPP4 (0.56) DPP4KCNH2CHRM2DRD1TOP2A
Water SCHEMBL8942213 0.83 DPP4 (0.55) DPP4KCNH2CHRM2DRD1TOP2A
SCHEMBL9775873 0.81 KDM4E (0.52) DPP4KCNH2CHRM2DRD1TOP2A

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