SCHEMBL17166415

SCHEMBL17166415

CCCCCCCCCCCCCCCC(=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)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.53
▸ NPY5R Q15761 5/20 0.53
▸ NPY1R P25929 4/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPBWR1 P48145 3/20 0.52
▸ GRIA1 P42261 1/20 0.50
▸ IL23R Q5VWK5 2/20 0.49
▸ CHRND Q07001 5/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ GIPR P48546 1/20 0.47
▸ 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
SCHEMBL16976122 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976096 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976119 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976102 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479454 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479456 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976104 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976117 0.96 GRIA1 (0.54) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479327 0.95 NPY4R (0.62) NPY4RNPY5RNPY1RNPY2RNPBWR1
SCHEMBL14479410 0.94 NPY4R (0.56) NPY4RNPY5RNPY1RNPY2RNPBWR1

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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