SCHEMBL29777552

SCHEMBL29777552

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ ACE P12821 2/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ NMUR2 Q9GZQ4 1/20 0.42
▸ NMUR1 Q9HB89 1/20 0.42
▸ NPY1R P25929 2/20 0.42
▸ NTSR2 O95665 2/20 0.41
▸ NTSR1 P30989 2/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ DPP3 Q9NY33 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 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
SCHEMBL29777557 0.89 F2 (0.48) F2ACESLC6A2NMUR2NMUR1
SCHEMBL29777558 0.84 PRCP (0.42) F2ACENMUR2NMUR1GRB2
SCHEMBL29777549 0.82 NTSR2 (0.49) SLC6A2NTSR2NTSR1SORT1OPRM1
SCHEMBL30118985 0.77 GRB2 (0.48) F2ACENMUR2NPY1RNTSR2
SCHEMBL31721670 0.77 NMUR2 (0.46) ACENMUR2NMUR1NPY1RGRB2
SCHEMBL29777562 0.76 PRCP (0.46) F2ACE
SCHEMBL29801491 0.75 OPRM1 (0.58) F2SLC6A2NTSR2NTSR1SORT1
SCHEMBL29679816 0.75 OPRM1 (0.49) F2ACENMUR2NPY1RNTSR2
SCHEMBL1247726 0.74 GRB2 (0.61) F2NTSR2NTSR1GRB2
SCHEMBL29677036 0.74 OPRM1 (0.48) F2ACENTSR2NTSR1GRB2

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 2 patents. 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 claimed
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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