SCHEMBL18911399

SCHEMBL18911399

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 8/20 0.57
▸ NTSR2 O95665 5/20 0.57
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ OPRD1 P41143 4/20 0.53
▸ SORT1 Q99523 4/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ AGTR1 P30556 3/20 0.51
▸ AGTR2 P50052 1/20 0.51
▸ F2 P00734 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
SCHEMBL18911398 1.00 NTSR1 (0.57) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30853508 0.86 NTSR1 (0.60) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30581211 0.84 NMUR2 (0.62) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30668166 0.84 NPY1R (0.59) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL31229504 0.84 NTSR2 (0.59) NTSR1NTSR2SORT1
SCHEMBL30108329 0.83 OPRD1 (0.50) NTSR1OPRD1OPRM1F2
SCHEMBL31067241 0.82 NTSR1 (0.55) NTSR1NTSR2OPRD1SORT1OPRM1
SCHEMBL30090958 0.82 NTSR1 (0.57) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL7279684 0.82 NTSR1 (0.57) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL31257916 0.82 NTSR1 (0.52) NTSR1NTSR2NPY1RNPY2RNPY4R

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-9669111-B2 Device for the diagnosis of inflammatory tissues in dental applications THOMMEN MEDICAL AG (CH) 2017-06-06 — — US disclosed
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