SCHEMBL18653084

SCHEMBL18653084

COC(=O)NCC(=O)N1CCCC1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.49
PREP P48147 7/20 0.43
FAP Q12884 5/20 0.43
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41

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
SCHEMBL8350270 0.87 PREP (0.48) DPP4PREPFAP
SCHEMBL8350809 0.87 POLB (0.49) DPP4PREPFAP
SCHEMBL18636997 0.87 ACE (0.51) DPP4PREPFAP
SCHEMBL8350007 0.87 ACE (0.51) DPP4PREPFAP
SCHEMBL2744394 0.86 MEN1 (0.48) DPP4PREPFAP
SCHEMBL3763934 0.86 MEN1 (0.48) DPP4PREPFAP
SCHEMBL8249414 0.86 PREP (0.43) DPP4PREPFAPHTR1AHTR7
SCHEMBL16470956 0.86 DPP4 (0.47) DPP4PREPFAPHTR1AHTR7
SCHEMBL30493625 0.85 DPP4 (0.60) DPP4PREPFAP
SCHEMBL8131318 0.85 EPHX1 (0.48) DPP4PREPFAPHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed