SCHEMBL23822848

SCHEMBL23822848

N=C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COCc2ccccc2)O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 6/20 0.33
▸ HRH4 Q9H3N8 4/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ RIPK1 Q13546 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ DRD1 P21728 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
SCHEMBL18666910 0.84 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL18667233 0.84 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL12294892 0.84 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL18666854 0.84 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL14052168 0.84 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL23047640 0.82 CTSL (0.33) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL12295037 0.82 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL23822912 0.82 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL18666852 0.82 TNK2 (0.35) TNK2HRH4HRH3TAAR1LMNA
SCHEMBL14052073 0.81 POLRMT (0.38) TNK2HRH4HRH3TAAR1LMNA

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-2021183750-A2 METHODS OF PREPARING 1'-CYANO NUCLEOSIDES GILEAD SCIENCES, INC. (US) 2021-09-16 — — WO disclosed
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