SCHEMBL3676574

SCHEMBL3676574

NC(N)C(F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
F2 P00734 1/20 0.52
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SCN4A P35499 1/20 0.39

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
SCHEMBL28548590 0.83 DPP4 (0.52) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL915178 0.82 DPP4 (0.47) DPP4F2HTR2ATAAR1LMNA
SCHEMBL28923019 0.79 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL6349748 0.79 ADRA2A (0.54) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL27512276 0.79 ADRA2A (0.54) DPP4F2TAAR1ADRA2AADRA2C
SCHEMBL7460838 0.77 DPP4 (0.43) DPP4F2HTR2ATAAR1
SCHEMBL346424 0.77
Methylamine SCHEMBL28065529 0.76 DPP4 (0.43) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL28080494 0.75 TAAR1 (0.52) DPP4F2HTR2ATAAR1
Iodide SCHEMBL29022384 0.74 DPP4 (0.55) DPP4F2HTR2ATAAR1ADRA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed