SCHEMBL8564777

SCHEMBL8564777

NCC(=O)N1CCCC1C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
PREP P48147 3/20 0.46
FAP Q12884 3/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 1/20 0.46
ACE P12821 3/20 0.41
F2 P00734 4/20 0.40
PRSS1 P07477 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8564779 1.00 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL29985759 0.97 PREP (0.44) DPP4PREPFAPDPP8DPP9
SCHEMBL29349875 0.96 DPP4 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL29595774 0.94 CHRM3 (0.43) DPP4PREPFAPDPP8DPP9
SCHEMBL29935652 0.92 CHRM3 (0.42) DPP4PREPFAPDPP8DPP9
SCHEMBL29380104 0.88 ACE (0.49) DPP4PREPFAPDPP8DPP9
SCHEMBL29874508 0.88 ACE (0.49) DPP4PREPFAPDPP8DPP9
SCHEMBL1046072 0.88 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL1046070 0.88 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL1402279 0.88 CHRM2 (0.42) DPP4PREPFAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545991-B1 PEPTIDES THAT BLOCK HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS AND METHODS OF USE THEREOF VAHLNE ANDERS (SE) 1998-12-02 EP disclosed
EP-0545991-B1 PEPTIDES THAT BLOCK HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS AND METHODS OF USE THEREOF VAHLNE ANDERS (SE) 1998-12-02 EP disclosed
US-5627035-A Peptides that block human immunodeficiency virus and methods of use thereof SYNTELLO VACCINE DEVELOPMENT AB (SE) 1997-05-06 US disclosed
EP-0545991-A1 PEPTIDES THAT BLOCK HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS AND METHODS OF USE THEREOF VAHLNE, Anders (SE) 1993-06-16 EP disclosed
WO-1992003147-A1 PEPTIDES THAT BLOCK HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS AND METHODS OF USE THEREOF SYNTELLO VACCIN DEVELOPMENT KB (SE) 1992-03-05 WO disclosed