SCHEMBL23047640

SCHEMBL23047640

N#CCC1(c2ccc3c(N)ncnn23)CCC(COCc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TNK2 Q07912 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HRH4 Q9H3N8 4/20 0.30
▸ HRH3 Q9Y5N1 4/20 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
SCHEMBL23822912 0.86 TNK2 (0.35) CTSLCTSBCTSKBACE1BACE2
SCHEMBL12295037 0.86 TNK2 (0.35) CTSLCTSBCTSKBACE1BACE2
SCHEMBL18666852 0.86 TNK2 (0.35) CTSLCTSBCTSKBACE1BACE2
SCHEMBL18667233 0.83 TNK2 (0.35) LMNATNK2TAAR1HRH4HRH3
SCHEMBL14052168 0.83 TNK2 (0.35) BACE1LMNATNK2TAAR1HRH4
SCHEMBL12294892 0.83 TNK2 (0.35) LMNATNK2TAAR1HRH4HRH3
SCHEMBL18666910 0.83 TNK2 (0.35) LMNATNK2TAAR1HRH4HRH3
SCHEMBL18666854 0.83 TNK2 (0.35) BACE1LMNATNK2TAAR1HRH4
SCHEMBL23822848 0.82 TNK2 (0.33) LMNATNK2TAAR1HRH4HRH3
SCHEMBL14052073 0.79 POLRMT (0.38) LMNATNK2TAAR1HRH4HRH3

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
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
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