SCHEMBL9740788

SCHEMBL9740788

N[C@@H](Cc1c[nH]cn1)C(=O)[C@@](O)(c1nccs1)[C@@H](N)CC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ GCK P35557 3/20 0.31

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
SCHEMBL7268413 0.84 CTSK (0.38) CTSK
SCHEMBL9741080 0.82 LNPEP (0.31) —
SCHEMBL7268400 0.79 CTSK (0.34) POLBCTSKCTSCGCK
SCHEMBL7268382 0.78 REN (0.46) —
SCHEMBL7268409 0.77 POLB (0.30) POLB
SCHEMBL10714989 0.76 LNPEP (0.32) CTSKCTSC
SCHEMBL10422486 0.74 LNPEP (0.35) —
SCHEMBL7269773 0.73 CTSC (0.38) POLBCTSKEPHX2CTSCGCK
SCHEMBL7269778 0.73 CTSC (0.38) POLBCTSKEPHX2CTSCGCK
SCHEMBL7278883 0.72 POLB (0.40) POLBCTSKEPHX2CTSCGCK

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
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 — — US disclosed
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