SCHEMBL29419429

SCHEMBL29419429

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.59
▸ OPRK1 P41145 7/20 0.59
▸ KDM1A O60341 3/20 0.58
▸ NMUR2 Q9GZQ4 2/20 0.57
▸ NMUR1 Q9HB89 2/20 0.57
▸ NTSR1 P30989 5/20 0.57
▸ NTSR2 O95665 4/20 0.57
▸ SORT1 Q99523 3/20 0.57
▸ OPRD1 P41143 2/20 0.55
▸ MAOB P27338 1/20 0.55
▸ KDM5A P29375 1/20 0.55
▸ KDM1B Q8NB78 1/20 0.55

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
SCHEMBL29477118 0.91 KDM1A (0.60) OPRM1OPRK1KDM1ANTSR1NTSR2
SCHEMBL30436277 0.91 NTSR1 (0.60) OPRM1OPRK1NMUR2NMUR1NTSR1
SCHEMBL29886800 0.90 NTSR2 (0.67) OPRM1OPRK1NTSR1NTSR2SORT1
SCHEMBL31634123 0.89 NTSR2 (0.60) OPRM1OPRK1NMUR2NMUR1NTSR1
SCHEMBL29770298 0.88 NPY4R (0.57) NMUR2NMUR1NTSR1NTSR2SORT1
SCHEMBL30906005 0.88 NTSR1 (0.60) KDM1ANTSR1NTSR2SORT1OPRD1
SCHEMBL30053247 0.88 KDM1A (0.62) KDM1ANTSR1NTSR2SORT1MAOB
SCHEMBL31738532 0.87 NTSR1 (0.76) NTSR1NTSR2SORT1
SCHEMBL30750439 0.87 KDM1A (0.65) OPRM1OPRK1KDM1ANMUR2NMUR1
SCHEMBL29496917 0.86 SLC6A2 (0.57) OPRM1NMUR2NMUR1NTSR1NTSR2

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-112851798-B Human milk endogenous antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 中国科学院大连化学物理研究所 2022-03-08 — — CN disclosed
CN-112851798-B Human milk endogenous antibacterial polypeptide and application thereof in preparation of anti-inflammatory drugs 中国科学院大连化学物理研究所 2022-03-08 — — CN disclosed
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