SCHEMBL30512650

SCHEMBL30512650

NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 10/20 0.57
▸ OPRM1 P35372 1/20 0.56
▸ KISS1R Q969F8 4/20 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
SCHEMBL31072322 0.88 OPRM1 (0.55) CXCL8OPRM1
SCHEMBL31020751 0.86 DPP3 (0.59) CXCL8OPRM1KISS1R
SCHEMBL30272451 0.86 CCKBR (0.55) KISS1R
SCHEMBL31475666 0.85 CCKBR (0.54) KISS1R
SCHEMBL30310984 0.85 CXCL8 (0.57) CXCL8
SCHEMBL30258020 0.84 CXCL8 (0.56) CXCL8KISS1R
SCHEMBL30387025 0.84 TACR1 (0.54) OPRM1KISS1R
SCHEMBL31606485 0.84 CXCL8 (0.56) CXCL8KISS1R
SCHEMBL31606474 0.84 AGTR1 (0.56) CXCL8OPRM1KISS1R
SCHEMBL7401387 0.83 KISS1R (0.63) CXCL8KISS1R

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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