SCHEMBL29678167

SCHEMBL29678167

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NPY5R Q15761 1/20 0.47
▸ CALCRL Q16602 2/20 0.47
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ NTSR2 O95665 11/20 0.44
▸ NTSR1 P30989 11/20 0.44
▸ SORT1 Q99523 9/20 0.44
▸ REN P00797 1/20 0.43

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
SCHEMBL29678075 0.95 MAPK8 (0.47) CAPN1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29976151 0.92 CALCRL (0.44) CAPN1CALCRLNTSR2NTSR1SORT1
SCHEMBL29678210 0.89 NPY1R (0.58) NPY1RNPY2RNPY4RNPY5RCALCRL
SCHEMBL29590984 0.82 NTSR2 (0.49) CAPN1NTSR2NTSR1SORT1REN
SCHEMBL30988889 0.81 CALCRL (0.49) CAPN1CALCRLREN
SCHEMBL31026618 0.81 NTSR1 (0.49) CAPN1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29625336 0.80 XIAP (0.53) NPY1RNPY2RNPY4RNPY5RNTSR2
SCHEMBL31257014 0.79 XIAP (0.54) CALCRLMAPK8MAPK9MAPK10NTSR2
SCHEMBL29611754 0.79 CAPN1 (0.49) CAPN1CALCRLMAPK8MAPK9MAPK10
SCHEMBL29614726 0.79 NTSR2 (0.51) CAPN1NPY1RNPY2RNPY4RNPY5R

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-4003403-A1 RECEPTOR-TARGETING PEPTIDE-DRUG CONJUGATES Molgenie GmbH (DE) 2022-06-01 — — EP claimed
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