SCHEMBL7755924

SCHEMBL7755924

N=C(N)NCCC[C@H](NCc1ccccc1)C(=O)ON

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.48
▸ TMPRSS11D O60235 6/20 0.42
▸ MC4R P32245 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ MC1R Q01726 1/20 0.40
▸ C3AR1 Q16581 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ PLG P00747 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ TMPRSS2 O15393 1/20 0.38

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
SCHEMBL6836788 0.89 TLR2 (0.51) TLR2TMPRSS11DEPHX2F2F10
SCHEMBL27473103 0.89 TLR2 (0.51) TLR2TMPRSS11DEPHX2F2F10
SCHEMBL30396736 0.88 TLR2 (0.51) TLR2TMPRSS11DMC4RMC3RMC1R
SCHEMBL9161634 0.88 TLR2 (0.54) TLR2TMPRSS11DMC4RMC3RMC1R
SCHEMBL3442919 0.88 TLR2 (0.54) TLR2TMPRSS11DMC4RMC3RMC1R
SCHEMBL10520803 0.79 MME (0.44) TLR2TMPRSS11D
SCHEMBL28896050 0.78 MC4R (0.60) TLR2MC4RMC3RMC1R
SCHEMBL27117113 0.78 TLR2 (0.48) TLR2NPY1R
SCHEMBL1345114 0.77 CA1 (0.43) ITGB3ITGAVNPY1RNPY4R
SCHEMBL8120405 0.77 HTT (0.56) TMPRSS11D

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-1086136-A1 MONOCLONAL ANTIBODIES SPECIFIC FOR GUANIDINO GROUP-DERIVED ADVANCED GLYCOSYLATION ENDPRODUCTS IN BIOLOGICAL SAMPLES ALTEON, INC. (US) 2001-03-28 — — EP disclosed
WO-1999064463-A1 MONOCLONAL ANTIBODIES SPECIFIC FOR GUANIDINO GROUP-DERIVED ADVANCED GLYCOSYLATION ENDPRODUCTS IN BIOLOGICAL SAMPLES ALTEON INC. (US) 1999-12-16 — — WO disclosed
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