SCHEMBL9066534

SCHEMBL9066534

N[C@H]1C[C@H]2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.65
CHRM2 P08172 2/20 0.55
DRD1 P21728 1/20 0.55
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ABCC4 O15439 1/20 0.52
EPHA2 P29317 1/20 0.51
FLT4 P35916 1/20 0.51
GSK3B P49841 1/20 0.51
RARB P10826 1/20 0.51
TBXAS1 P24557 1/20 0.51
SLC6A3 Q01959 1/20 0.51
DHFR P00374 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49

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
SCHEMBL7850679 1.00 DPP4 (0.65) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9066624 1.00 DPP4 (0.65) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9066735 0.93 DPP4 (0.69) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9066626 0.93 DPP4 (0.69) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9066629 0.93 DPP4 (0.69) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL7850682 0.89 DPP4 (0.51) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9177508 0.88 DPP4 (0.65) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9177523 0.88 DPP4 (0.65) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL9177514 0.88 DPP4 (0.65) DPP4CHRM2DRD1KMT2ALMNA
SCHEMBL4575476 0.87 KMT2A (0.69) DPP4CHRM2DRD1KMT2ALMNA

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