SCHEMBL9757609

SCHEMBL9757609

Nc1cccc2c1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.61
CHRM2 P08172 1/20 0.57
DRD1 P21728 1/20 0.57
LMNA P02545 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ABCC4 O15439 1/20 0.53
DHFR P00374 1/20 0.48
KMT2A Q03164 1/20 0.47
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47
RARB P10826 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL9757162 0.90 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757404 0.89 DPP4 (0.69) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757406 0.89 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757539 0.88 DPP4 (0.57) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757429 0.87 DPP4 (0.65) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757425 0.82 KDM4E (0.60) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8093551 0.81 TOP2A (0.53) CHRM2LMNAKDM4EHSD17B10KMT2A
SCHEMBL9316567 0.81 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL4247787 0.81 DPP4 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9757348 0.81 DPP4 (0.59) 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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed