SCHEMBL7436178

SCHEMBL7436178

N#Cc1ccc(CC(CC(O)C(N)CC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
DPP4 P27487 2/20 0.42
FAP Q12884 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
CTSC P53634 8/20 0.41
KCNH2 Q12809 4/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
REN P00797 1/20 0.38
LTA4H P09960 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GRIK1 P39086 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
SCHEMBL7436183 1.00 EPHX1 (0.42) EPHX1DPP4FAPDPP8DPP9
SCHEMBL8894601 0.86 MME (0.43) METAP2METAP1MMEACECPA1
SCHEMBL8894607 0.86 MME (0.43) METAP2METAP1MMEACECPA1
SCHEMBL7430623 0.85 METAP2 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7430616 0.85 METAP2 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7433904 0.83 LDHA (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7433911 0.83 LDHA (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL7444337 0.83 DPEP1 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL7444348 0.83 DPEP1 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL7432403 0.80 SLC1A3 (0.54) CPA1SLC1A3SLC1A2SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed