SCHEMBL30752034

SCHEMBL30752034

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.55
▸ OPRD1 P41143 3/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ OPRL1 P41146 5/20 0.52
▸ IL23R Q5VWK5 2/20 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
SCHEMBL29593814 0.93 IL23R (0.53) OPRM1OPRD1OPRK1OPRL1IL23R
SCHEMBL31031480 0.89 TFPI (0.55) OPRM1OPRD1OPRK1OPRL1IL23R
SCHEMBL31303835 0.89 IL23R (0.52) OPRL1IL23R
SCHEMBL30974420 0.88 TFPI (0.57) OPRM1OPRD1OPRK1IL23R
SCHEMBL30880902 0.85 OPRM1 (0.63) OPRM1OPRD1OPRK1IL23R
SCHEMBL30426604 0.85 QRFPR (0.61) —
SCHEMBL29867694 0.85 NPY4R (0.53) OPRM1OPRD1OPRK1
SCHEMBL31393356 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1IL23R
SCHEMBL11206486 0.84 NPY4R (0.54) OPRM1OPRD1OPRK1
SCHEMBL29658154 0.84 QRFPR (0.53) OPRM1OPRD1OPRK1OPRL1IL23R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395014-B Ox horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-02-23 — — CN claimed
CN-114395014-B Ox horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-02-23 — — CN disclosed
CN-114395014-B Ox horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-02-23 — — CN disclosed
Send feedback