SCHEMBL8127887

SCHEMBL8127887

COc1cc(CCC(=O)NCCCCn2cnc3c(N)nc4ccccc4c32)ccc1OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TLR7 Q9NYK1 7/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ QPCT Q16769 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL8127086 0.84 TLR7 (0.41) TLR7POLB
SCHEMBL8142202 0.82 TLR7 (0.46) TLR7POLB
SCHEMBL3863867 0.82 TLR7 (0.49) TLR7POLB
SCHEMBL13937509 0.79 TLR7 (0.50) TLR7POLB
SCHEMBL13937503 0.78 TLR7 (0.49) TLR7POLB
SCHEMBL13937480 0.78 TLR7 (0.49) TLR7POLB
SCHEMBL8136478 0.78 TLR7 (0.46) ALDH1A1TLR7POLB
SCHEMBL5748435 0.78 TLR7 (0.49) TLR7POLBMAPTTP53BCHE
SCHEMBL8140138 0.78 TLR7 (0.48) TLR7POLB
SCHEMBL8132936 0.78 TLR7 (0.46) TLR7POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 — — US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 — — EP disclosed
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