SCHEMBL25160177

SCHEMBL25160177

CC[C@@H]([C@@H](C)O)n1ccn(Cc2ccc(C)cn2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.32
▸ P2RX3 P56373 3/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL20644385 0.87 PRMT5 (0.38) PRMT5WDR77
SCHEMBL21538417 0.82 MAPT (0.50) PRMT5WDR77TP53MAPT
SCHEMBL25160115 0.81 TDP1 (0.31) TLR7P2RX3P2RX2DAOTDP1
SCHEMBL25160271 0.76 MAPT (0.48) TP53MAPTTDP1
SCHEMBL20644471 0.73 SMN1; SMN2 (0.36) PRMT5WDR77TP53MAPT
SCHEMBL25160112 0.71 RGS4 (0.34) MAPT
SCHEMBL25160125 0.68 MAPT (0.37) TP53MAPTTDP1
SCHEMBL20644439 0.68 PRMT5 (0.37) PRMT5WDR77
SCHEMBL20644462 0.68 — —
SCHEMBL21985427 0.66 POLB (0.44) TLR7TP53

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-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
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