SCHEMBL9788973

SCHEMBL9788973

NCC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.61
CHRM2 P08172 2/20 0.61
DRD1 P21728 1/20 0.61
LMNA P02545 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 3/20 0.57
ABCC4 O15439 1/20 0.57
DHFR P00374 1/20 0.50
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 2/20 0.46
ATP6V1B2 P21281 1/20 0.46
TBXA2R P21731 1/20 0.46
EDNRA P25101 1/20 0.46
TARBP2 Q15633 1/20 0.46
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL9116420 0.85 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL25274064 0.85 DPP4 (0.64) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9684737 0.85 LMNA (0.47) DPP4CHRM2DRD1LMNAKDM4E
Hydrochloric Acid SCHEMBL10512529 0.85 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL10377621 0.84 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL5080335 0.84 KMT2A (0.46) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9457439 0.83 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9437372 0.83 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin9 SCHEMBL9186361 0.83 DPP4 (0.66) DPP4CHRM2DRD1LMNAKDM4E
Trovafloxacin9 SCHEMBL9186378 0.83 DPP4 (0.66) DPP4CHRM2DRD1LMNAKDM4E

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
JP-3066688-A None JP disclosed
JP-H0366688-A 1,4-DIHYDRO-4-OXONAPHTHYRIDINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1991-03-22 JP disclosed