SCHEMBL28787708

SCHEMBL28787708

NCCCCC(NCc1ccccc1)C(=O)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.54
DPP7 Q9UHL4 5/20 0.50
CPB2 Q96IY4 1/20 0.50
F12 P00748 1/20 0.49
ACE P12821 1/20 0.47
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
FPR2 P25090 1/20 0.45
OPRK1 P41145 1/20 0.44

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
SCHEMBL28787706 1.00 TLR2 (0.54) TLR2DPP7CPB2F12ACE
SCHEMBL27810216 0.81 F12 (0.45) TLR2DPP7F12ACEOPRK1
SCHEMBL1976380 0.81 TLR2 (0.67) TLR2CPB2ACE
SCHEMBL3650068 0.81 TLR2 (0.67) TLR2CPB2ACE
SCHEMBL29687687 0.81 ACE (0.70) CPB2ACE
SCHEMBL18848471 0.80 CTSB (0.57) CPB2HPGD
SCHEMBL16455116 0.80 FPR2 (0.58) CPB2FPR2
SCHEMBL27890164 0.79 ACE (0.73) ACE
SCHEMBL27890165 0.79 ACE (0.73) ACE
SCHEMBL18848748 0.78 CTSB (0.58) CPB2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101724016-B Peptide compound, preparation method and application thereof LI MIN 2013-09-25 CN claimed
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 CN claimed
CN-101724016-A Peptide compound, preparation method and application thereof MIN LI 2010-06-09 CN claimed
CN-102924567-B Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2014-06-04 CN disclosed
CN-101724016-B Peptide compound, preparation method and application thereof LI MIN 2013-09-25 CN disclosed
CN-102924567-A Peptide compound and preparation method and use of peptide compound SHANGHAI INST PHARM INDUSTRY 2013-02-13 CN disclosed
CN-101724016-A Peptide compound, preparation method and application thereof MIN LI 2010-06-09 CN disclosed