SCHEMBL29777557

SCHEMBL29777557

NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.48
▸ OPRM1 P35372 3/20 0.45
▸ ACE P12821 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ NTSR2 O95665 3/20 0.41
▸ NTSR1 P30989 3/20 0.41
▸ SORT1 Q99523 2/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ NMUR1 Q9HB89 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL29777552 0.89 F2 (0.45) F2OPRM1ACEOPRD1NTSR2
SCHEMBL29777558 0.84 PRCP (0.42) F2ACENMUR2NMUR1
SCHEMBL30424443 0.80 F2 (0.50) F2OPRM1ACENTSR2NTSR1
SCHEMBL29777562 0.80 PRCP (0.46) F2ACE
SCHEMBL30435067 0.76 OPRM1 (0.55) F2OPRM1ACENTSR2NTSR1
SCHEMBL29579280 0.76 F2 (0.56) F2OPRM1OPRD1SLC6A2
SCHEMBL2198039 0.75 F2 (0.53) F2OPRM1ACENMUR2NMUR1
SCHEMBL29421102 0.75 F2 (0.63) F2OPRM1ACEOPRD1SLC6A2
SCHEMBL30434957 0.74 OPRM1 (0.57) F2OPRM1ACENTSR2NTSR1
SCHEMBL30104070 0.74 KIF11 (0.56) —

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
WO-2022141615-A1 SYNTHESIS METHOD FOR ATOSIBAN 湖北健翔生物制药有限公司 2022-07-07 — — WO disclosed
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