SCHEMBL9823997

SCHEMBL9823997

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
SLC15A1 P46059 1/20 0.51
SLC7A5 Q01650 1/20 0.42
ANPEP P15144 1/20 0.39
DNPEP Q9ULA0 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
SCHEMBL7285511 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9824000 1.00 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7294441 0.78 ANPEP (0.44) ANPEPDNPEP
SCHEMBL7287058 0.78 ANPEP (0.44) ANPEPDNPEP
SCHEMBL20177448 0.73 ANPEP (0.40) SLC7A5ANPEPDNPEPLAP3RNPEP
SCHEMBL10714554 0.73 ANPEP (0.40) SLC7A5ANPEPDNPEPLAP3RNPEP
SCHEMBL5537507 0.73 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6242953 0.73 ANPEP (0.40) SLC7A5ANPEPDNPEPLAP3RNPEP
SCHEMBL29096569 0.72 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3186652 0.72 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed