SCHEMBL3356663

SCHEMBL3356663

NCCCC[C@@H](C(=O)O)N(Br)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.48
ADRA2C P18825 1/20 0.47
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
GSR P00390 1/20 0.39
EPOR P19235 2/20 0.38
CPB2 Q96IY4 3/20 0.38
RNPEP Q9H4A4 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL3356658 1.00 F2 (0.48) F2ADRA2CMMP2MMP9GSR
SCHEMBL6425292 0.95 ADRA2C (0.48) F2ADRA2CMMP2MMP9CPB2
SCHEMBL1387992 0.85 F2 (0.50) F2ADRA2CMMP2MMP9GSR
SCHEMBL7321837 0.85 F2 (0.50) F2ADRA2CMMP2MMP9GSR
SCHEMBL9716623 0.85 F2 (0.50) F2ADRA2CMMP2MMP9GSR
SCHEMBL27440883 0.82 ADRA2C (0.54) F2ADRA2CMMP2MMP9GSR
SCHEMBL1387641 0.82 ADRA2C (0.54) F2ADRA2CMMP2MMP9GSR
SCHEMBL9716684 0.80 ADRA2C (0.50) F2ADRA2CMMP2MMP9EPOR
SCHEMBL9716679 0.80 ADRA2C (0.50) F2ADRA2CMMP2MMP9EPOR
SCHEMBL15484293 0.80 ADRA2C (0.50) F2ADRA2CMMP2MMP9EPOR

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
WO-2010088527-A2 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-08-05 WO claimed
WO-2010088527-A2 PEPTIDES AND NANOPARTICLES FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-08-05 WO disclosed