SCHEMBL10432709

SCHEMBL10432709

CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 11/20 0.58
▸ SLC6A2 P23975 1/20 0.56
▸ NTSR2 O95665 8/20 0.55
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ SORT1 Q99523 6/20 0.52
▸ CXCL8 P10145 2/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51

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
SCHEMBL10432711 1.00 NTSR1 (0.58) NTSR1SLC6A2NTSR2NMUR2SORT1
SCHEMBL30682151 0.95 NMUR2 (0.57) NTSR1SLC6A2NTSR2NMUR2SORT1
SCHEMBL30085011 0.89 SLC6A2 (0.65) NTSR1SLC6A2NTSR2NMUR2SORT1
SCHEMBL30974363 0.88 NTSR1 (0.56) NTSR1CXCL8
SCHEMBL29699958 0.88 SLC6A2 (0.59) NTSR1SLC6A2NTSR2SORT1
SCHEMBL31575703 0.88 NTSR1 (0.60) NTSR1SLC6A2NTSR2SORT1
SCHEMBL30130351 0.87 NTSR1 (0.61) NTSR1SLC6A2NTSR2SORT1
SCHEMBL38650937 0.86 NTSR1 (0.58) NTSR1SLC6A2NTSR2NMUR2SORT1
SCHEMBL30553114 0.86 CALCR (0.56) NTSR1NTSR2SORT1CXCL8
SCHEMBL38660514 0.86 RAMP3 (0.58) CXCL8NPY2RNPY4RNPY5R

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
EP-0386734-A2 Immunogenic domains of the E-7 protein of the human papillome virus type 16 BEHRINGWERKE Aktiengesellschaft (DE) 1990-09-12 — — EP disclosed
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