SCHEMBL17166399

SCHEMBL17166399

CCCCCCCCCCCCCCCC(=O)NCC(=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 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 5/20 0.55
▸ CD40 P25942 1/20 0.52
▸ CHRND Q07001 5/20 0.52
▸ CHRNA1 P02708 1/20 0.52
▸ CHRNG P07510 1/20 0.52
▸ CHRNB1 P11230 1/20 0.52

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
SCHEMBL17166409 0.95 NPY4R (0.56) GRIA1CD40
SCHEMBL17166418 0.95 NPY4R (0.56) GRIA1CD40
SCHEMBL14479394 0.93 GRIA1 (0.55) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479364 0.93 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479390 0.92 CHRND (0.53) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL16976109 0.92 GRIA1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL17166419 0.91 GRIA1 (0.55) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479330 0.91 NPY4R (0.59) GRIA1
SCHEMBL14479448 0.91 NPBWR1 (0.54) GRIA1CD40CHRNDCHRNA1CHRNG
SCHEMBL14479420 0.91 NPY4R (0.59) GRIA1

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-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
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