SCHEMBL23489891

SCHEMBL23489891

C[C@H]1C[C@H](NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TRPC5 Q9UL62 4/20 0.43
▸ TIPARP Q7Z3E1 10/20 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
SCHEMBL23489927 0.93 POLB (0.43) POLBALDH1A1TRPC5TIPARP
SCHEMBL31754098 0.92 TRPC5 (0.47) POLBALDH1A1TRPC5TIPARP
SCHEMBL23489993 0.92 TRPC5 (0.47) POLBALDH1A1TRPC5TIPARP
SCHEMBL23489990 0.92 TRPC5 (0.47) POLBALDH1A1TRPC5TIPARP
SCHEMBL23490361 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARP
SCHEMBL23573191 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARP
SCHEMBL23573472 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARP
SCHEMBL23490128 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARP
SCHEMBL23490131 0.91 POLB (0.44) POLBALDH1A1TRPC5TIPARP
SCHEMBL23573308 0.91 POLB (0.48) POLBALDH1A1TRPC5TIPARP

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-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 — — WO disclosed
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