SCHEMBL30832768

SCHEMBL30832768

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 1/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ NTSR1 P30989 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ NPY2R P49146 7/20 0.46
▸ NPY4R P50391 7/20 0.46
▸ NPY5R Q15761 7/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NMUR2 Q9GZQ4 2/20 0.46
▸ NMUR1 Q9HB89 2/20 0.46
▸ RAMP3 O60896 1/20 0.45
▸ CALCR P30988 1/20 0.45

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
SCHEMBL29884130 0.86 OPRM1 (0.61) BDKRB2OPRM1OPRD1NTSR1SLC6A2
SCHEMBL29355752 0.83 OPRD1 (0.52) OPRM1OPRD1NTSR1SLC6A2
SCHEMBL29376302 0.81 OPRM1 (0.64) OPRM1OPRD1NTSR1SLC6A2NMUR2
SCHEMBL30625026 0.81 OPRM1 (0.64) OPRM1OPRD1NTSR1SLC6A2NMUR2
SCHEMBL30608620 0.79 OPRM1 (0.53) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL30906513 0.79 RAMP3 (0.55) OPRM1OPRD1NTSR1NPY2RNPY4R
SCHEMBL31366734 0.79 SLC6A2 (0.55) OPRM1OPRD1NTSR1SLC6A2NMUR2
SCHEMBL30832765 0.79 OPRM1 (0.50) BDKRB2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29801041 0.78 OPRM1 (0.55) OPRM1OPRD1NTSR1NMUR2NMUR1
SCHEMBL31307255 0.78 EPHA2 (0.58) NPY2RNPY4RNPY5RNPY1RNMUR2

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
CN-117720638-A Recombinant IV type humanized collagen with antioxidant and anti-inflammatory activities 西安德诺海思医疗科技有限公司 2024-03-19 — — CN claimed
CN-117720638-A Recombinant IV type humanized collagen with antioxidant and anti-inflammatory activities 西安德诺海思医疗科技有限公司 2024-03-19 — — CN disclosed
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