SCHEMBL29674929

SCHEMBL29674929

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.59
▸ KISS1R Q969F8 4/20 0.58
▸ OPRM1 P35372 6/20 0.57
▸ OPRK1 P41145 6/20 0.57
▸ IL23R Q5VWK5 1/20 0.56

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
SCHEMBL29675119 1.00 CXCR4 (0.59) CXCR4KISS1ROPRM1OPRK1IL23R
SCHEMBL28202049 0.97 CXCR4 (0.60) CXCR4KISS1ROPRM1OPRK1
SCHEMBL29675079 0.97 CXCR4 (0.60) CXCR4KISS1ROPRM1OPRK1
Omiganan SCHEMBL27824120 0.96 CXCR4 (0.60) CXCR4KISS1ROPRM1OPRK1
Omiganan SCHEMBL29410943 0.96 CXCR4 (0.59) CXCR4KISS1ROPRM1OPRK1
SCHEMBL29412263 0.95 CXCR4 (0.61) CXCR4KISS1ROPRM1OPRK1
SCHEMBL30498028 0.92 OPRM1 (0.65) OPRM1OPRK1
SCHEMBL29708093 0.92 OPRM1 (0.65) OPRM1OPRK1
SCHEMBL30273393 0.92 CXCR4 (0.61) CXCR4KISS1ROPRM1OPRK1
SCHEMBL34461077 0.88 CXCR4 (0.58) CXCR4KISS1RIL23R

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-107661240-B Submicron emulsion repair stock solution composition, preparation method thereof and cosmetic composition containing submicron emulsion repair stock solution composition 山东千色生物科技有限公司 2022-05-31 — — CN disclosed
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