SCHEMBL13993324

SCHEMBL13993324

CC(C)(C)c1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.46
▸ SLC15A2 Q16348 1/20 0.44
▸ PLK1 P53350 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ GRPR P30550 1/20 0.39
▸ REN P00797 3/20 0.39
▸ NPY4R P50391 1/20 0.38
▸ RAMP3 O60896 1/20 0.38
▸ CALCR P30988 1/20 0.38

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
SCHEMBL3385091 0.77 NPY4R (0.41) NPY4R
SCHEMBL13449161 0.75 NPY4R (0.46) NPY4R
SCHEMBL3385099 0.74 CCKBR (0.39) NPY4R
SCHEMBL13448796 0.74 CCKBR (0.39) NPY4R
SCHEMBL13449178 0.74 CCKBR (0.39) NPY4R
SCHEMBL16181282 0.72 MC4R (0.53) MC4RSLC15A2
SCHEMBL25767483 0.72 MC4R (0.53) MC4RSLC15A2REN
SCHEMBL21828571 0.72 SLC15A2 (0.52) SLC15A2CA1CA2NPY4R
SCHEMBL27687361 0.72 SLC15A2 (0.54) SLC15A2
SCHEMBL27687339 0.70 SLC15A2 (0.63) SLC15A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311681-A1 Antibody Binding Affinity Ligands VERSAMATRIX A/S (DK) 2008-12-18 — — US disclosed
US-20080311681-A1 Antibody Binding Affinity Ligands VERSAMATRIX A/S (DK) 2008-12-18 — — US disclosed
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