SCHEMBL7298754

SCHEMBL7298754

N#Cc1ccc(C(=O)NCCC(=O)N2CCC(CC(=O)O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.71
ITGA2B P08514 8/20 0.71
DPP4 P27487 4/20 0.59
CCR3 P51677 1/20 0.52
CHRM4 P08173 1/20 0.52
SIGMAR1 Q99720 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
NAMPT P43490 1/20 0.45
DHODH Q02127 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
SCHEMBL7304997 0.83 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL7297075 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7306246 0.81 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL19974607 0.80 YAP1 (0.54) ITGB3ITGA2BSIGMAR1
SCHEMBL8643671 0.79 DPP4 (0.55) ITGB3ITGA2BDPP4CD274NAMPT
SCHEMBL9225481 0.78 ITGB3 (0.71) ITGB3ITGA2BSIGMAR1
SCHEMBL7299486 0.76 EPHX2 (0.58) DPP4SIGMAR1CD274NAMPTDHODH
SCHEMBL8880311 0.72 ITGB3 (0.48) ITGB3ITGA2BDPP4CCR3CHRM4
SCHEMBL7753402 0.72 FFAR4 (0.52) DPP4CHRM4SIGMAR1
SCHEMBL16616770 0.70 NAMPT (0.67) DPP4CCR3CHRM4NAMPT

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
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed