SCHEMBL9066735

SCHEMBL9066735

NC1CC2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.69
CHRM2 P08172 2/20 0.57
DRD1 P21728 1/20 0.57
EPHA2 P29317 1/20 0.55
FLT4 P35916 1/20 0.55
GSK3B P49841 1/20 0.55
RARB P10826 1/20 0.55
TBXAS1 P24557 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ABCC4 O15439 1/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL9066626 1.00 DPP4 (0.69) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9066629 1.00 DPP4 (0.69) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9066624 0.93 DPP4 (0.65) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9066534 0.93 DPP4 (0.65) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL7850679 0.93 DPP4 (0.65) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9181241 0.93 DPP4 (0.72) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9181249 0.93 DPP4 (0.72) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL9181235 0.93 DPP4 (0.72) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL7850218 0.90 DPP4 (0.63) DPP4CHRM2DRD1EPHA2FLT4
SCHEMBL7850222 0.90 DPP4 (0.63) DPP4CHRM2DRD1EPHA2FLT4

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-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed