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Sugi Predict / Compounds / SCHEMBL16976097

SCHEMBL16976097

SCHEMBL16976097

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 5/20 0.51
▸ CHRND Q07001 5/20 0.48
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNG P07510 1/20 0.48
▸ CHRNB1 P11230 1/20 0.48
▸ CD40 P25942 1/20 0.47

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
SCHEMBL16976136 1.00 GRIA1 (0.51) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976096 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976104 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479456 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976117 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479454 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976122 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976102 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976119 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976112 0.94 GRIA1 (0.51) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 — — US disclosed
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