SCHEMBL30233484

SCHEMBL30233484

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 7/20 0.57
▸ OPRD1 P41143 3/20 0.55
▸ OPRM1 P35372 2/20 0.55
▸ NPY2R P49146 7/20 0.54
▸ NPY4R P50391 7/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ CALCR P30988 4/20 0.54
▸ NMUR2 Q9GZQ4 1/20 0.53
▸ NMUR1 Q9HB89 1/20 0.53
▸ NTSR1 P30989 2/20 0.52

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
SCHEMBL30233341 0.95 NPY1R (0.57) NPY1ROPRD1OPRM1NPY2RNPY4R
SCHEMBL30233254 0.92 OPRD1 (0.61) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL29471031 0.91 NPY1R (0.54) NPY1ROPRD1NPY2RNPY4RNPY5R
SCHEMBL30753761 0.91 OPRD1 (0.61) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30233475 0.90 OPRD1 (0.59) OPRD1OPRM1CALCRNMUR2NMUR1
SCHEMBL30788354 0.87 TFPI (0.55) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30788346 0.86 TFPI (0.56) OPRD1OPRM1NMUR2NMUR1
SCHEMBL30233411 0.85 CALCR (0.63) OPRD1OPRM1CALCR
SCHEMBL30788361 0.85 NMUR2 (0.56) OPRD1OPRM1NMUR2NMUR1
SCHEMBL38660346 0.84 OPRD1 (0.62) NPY1ROPRD1OPRM1NPY2RNPY4R

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
CN-115702161-A Peptide compositions and methods for inhibiting nicotinic acetylcholine receptor activity 格罗制药公司 2023-02-14 — — CN disclosed
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