SCHEMBL23288626

SCHEMBL23288626

COC(=O)C1(C=O)CCB(C#N)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL2547049 0.78 — —
SCHEMBL24188057 0.75 — —
SCHEMBL1971946 0.74 NPSR1 (0.42) NPSR1
SCHEMBL4864227 0.74 NPSR1 (0.47) NPSR1
SCHEMBL4872719 0.72 NPSR1 (0.45) NPSR1
SCHEMBL2305290 0.72 NPSR1 (0.45) NPSR1
SCHEMBL4866927 0.71 NPSR1 (0.35) NPSR1
SCHEMBL31711898 0.69 NPSR1 (0.34) NPSR1
SCHEMBL5113321 0.69 CYP3A4 (0.40) NPSR1
SCHEMBL4863377 0.68 NPSR1 (0.33) NPSR1

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
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 — — WO disclosed
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