SCHEMBL30721650

SCHEMBL30721650

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.55
▸ OPRD1 P41143 3/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ OPRL1 P41146 2/20 0.54
▸ TFPI P10646 1/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ KISS1R Q969F8 3/20 0.52
▸ IL23R Q5VWK5 1/20 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
SCHEMBL31347335 0.97 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1TFPI
SCHEMBL30467092 0.93 TFPI (0.62) OPRM1OPRD1OPRK1TFPIKEAP1
SCHEMBL30721600 0.91 TFPI (0.64) TFPI
SCHEMBL30721553 0.90 TFPI (0.66) TFPI
SCHEMBL29436306 0.90 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1
SCHEMBL30721572 0.90 GLP1R (0.61) OPRM1OPRD1OPRK1TFPIIL23R
SCHEMBL30668120 0.90 OPRM1 (0.60) OPRM1OPRD1OPRK1TFPIKEAP1
SCHEMBL31243930 0.89 OPRD1 (0.65) OPRM1OPRD1OPRK1OPRL1KISS1R
SCHEMBL31243871 0.89 OPRD1 (0.65) OPRM1OPRD1OPRK1OPRL1KISS1R
SCHEMBL31683259 0.89 TFPI (0.64) OPRM1OPRD1OPRK1TFPIKISS1R

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-117402256-A Protein dimers consisting of GLP-1 and EGF (A) analogues 乐普(北京)医疗器械股份有限公司 2024-01-16 — — CN disclosed
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