SCHEMBL13746591

SCHEMBL13746591

O=C1NCCCc2c1c1cc(Br)ccc1n2CCCSc1cc(F)cc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 2/20 0.52
▸ BCHE P06276 5/20 0.49
▸ ACHE P22303 2/20 0.49
▸ ALB P02768 4/20 0.45

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
SCHEMBL4029839 0.86 SCARB1 (0.67) SCARB1BCHEACHE
SCHEMBL13747467 0.82 BCHE (0.52) BCHEACHEALB
SCHEMBL13746604 0.69 SCARB1 (0.62) SCARB1BCHEACHE
SCHEMBL4200829 0.67 SCARB1 (0.62) SCARB1
SCHEMBL1003026 0.67 MCHR1 (0.52) BCHEACHEALB
SCHEMBL10155031 0.66 BCHE (0.66) BCHEACHEALB
SCHEMBL10155029 0.65 BCHE (0.61) BCHEACHEALB
SCHEMBL19559319 0.64 BACE1 (0.52) —
SCHEMBL798107 0.63 RIPK3 (0.54) BCHEACHEALB
SCHEMBL10155030 0.61 BCHE (0.60) BCHEACHEALB

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-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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