SCHEMBL23959858

SCHEMBL23959858

N#C[C@]1(c2ccc3c(N)ncnn23)C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ RIPK1 Q13546 3/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ PDE4D Q08499 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL22355569 1.00 TNK2 (0.33) TNK2HSPA5PDE2ATAAR1RIPK1
SCHEMBL18666953 0.86 TNK2 (0.35) TNK2HSPA5PDE2ATAAR1RIPK1
SCHEMBL13667812 0.86 TNK2 (0.35) TNK2HSPA5PDE2ATAAR1RIPK1
SCHEMBL23822775 0.86 TNK2 (0.35) TNK2HSPA5PDE2ATAAR1RIPK1
SCHEMBL18666852 0.82 TNK2 (0.35) TNK2HSPA5TAAR1CTSLCTSB
SCHEMBL23822912 0.82 TNK2 (0.35) TNK2HSPA5TAAR1CTSLCTSB
SCHEMBL12295037 0.82 TNK2 (0.35) TNK2HSPA5TAAR1CTSLCTSB
SCHEMBL14817042 0.81 HSPA5 (0.35) TNK2HSPA5PDE2ABCHEHTR1A
SCHEMBL20553048 0.81 PDE2A (0.35) HSPA5PDE2ABCHEACHEHTR1A
SCHEMBL20477154 0.81 PDE2A (0.35) HSPA5PDE2ABCHEACHEHTR1A

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-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
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