SCHEMBL9706048

SCHEMBL9706048

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nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.47
DNPEP Q9ULA0 1/20 0.47
SLC7A5 Q01650 1/20 0.39
PEPD P12955 4/20 0.38
XPNPEP1 Q9NQW7 3/20 0.38
LAP3 P28838 5/20 0.35
TSHR P16473 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
ERAP1 Q9NZ08 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL737851 0.82 ANPEP (0.53) ANPEPDNPEPSLC7A5PEPDXPNPEP1
Hydrochloric Acid SCHEMBL737850 0.80 ANPEP (0.51) ANPEPDNPEPSLC7A5PEPDXPNPEP1
SCHEMBL7295011 0.78 ANPEP (0.46) ANPEPDNPEPSLC7A5PEPDXPNPEP1
SCHEMBL10422730 0.78 METAP2 (0.38) ANPEPDNPEPTSHRSLC1A3SLC1A2
SCHEMBL10422698 0.78 METAP2 (0.34) TSHRMETAP2METAP1
SCHEMBL15847142 0.78 TSHR (0.36) ANPEPDNPEPSLC7A5TSHR
SCHEMBL7373706 0.78 TSHR (0.36) ANPEPDNPEPSLC7A5TSHR
SCHEMBL9514368 0.78 TSHR (0.36) ANPEPDNPEPSLC7A5TSHR
SCHEMBL770555 0.77 SLC7A5 (0.54) ANPEPDNPEPSLC7A5LAP3TSHR
SCHEMBL16857258 0.77 SLC7A5 (0.54) ANPEPDNPEPSLC7A5LAP3TSHR

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-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed