SCHEMBL8365216

SCHEMBL8365216

CCC(C)C(N)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C(=O)O)C(C)C)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.50
▸ NPY4R P50391 8/20 0.50
▸ NPY5R Q15761 8/20 0.50
▸ NPY1R P25929 7/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ NTSR2 O95665 2/20 0.48
▸ NTSR1 P30989 2/20 0.48
▸ SORT1 Q99523 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ RAMP3 O60896 2/20 0.45
▸ CALCR P30988 2/20 0.45
▸ F2 P00734 1/20 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
SCHEMBL31235877 0.90 NPY1R (0.52) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30429358 0.89 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30338867 0.88 MAPK8 (0.53) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30410387 0.87 NTSR2 (0.53) MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31307290 0.86 EP300 (0.53) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30576900 0.85 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30495689 0.85 NPY2R (0.57) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30512672 0.85 MAPK8 (0.53) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30603414 0.85 XIAP (0.52) NTSR2NTSR1SORT1XIAP
SCHEMBL29776766 0.85 MAPK8 (0.58) MAPK8MAPK9MAPK10NTSR2NTSR1

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-2002014352-A9 THERAPEUTIC COMPOUNDS FOR OVARIAN CANCER GENZYME CORP (US) 2004-03-04 — — WO disclosed
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