SCHEMBL30429187

SCHEMBL30429187

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ CMA1 P23946 1/20 0.48
▸ PSMB9 P28065 2/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ TACR1 P25103 2/20 0.44

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
SCHEMBL6434028 0.90 CTRB1 (0.56) CTRB1OPRM1OPRD1OPRK1CMA1
SCHEMBL29868206 0.90 CTRB1 (0.56) CTRB1OPRM1OPRD1OPRK1CMA1
SCHEMBL29413336 0.89 CTRB1 (0.49) CTRB1
SCHEMBL8902510 0.89 CTRB1 (0.49) CTRB1
SCHEMBL30317756 0.89 CTRB1 (0.49) CTRB1
SCHEMBL30595564 0.89 CTRB1 (0.50) CTRB1OPRM1OPRD1OPRK1CMA1
SCHEMBL11947977 0.89 CTRB1 (0.55) CTRB1OPRM1OPRD1OPRK1CMA1
SCHEMBL8902887 0.86 CTRB1 (0.46) CTRB1
SCHEMBL30688543 0.84 CMA1 (0.55) CMA1SLC6A2ACE
SCHEMBL24414053 0.84 OPRM1 (0.47) CTRB1OPRM1OPRD1OPRK1CMA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4201951-B1 METHOD FOR PEPTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2023-11-22 — — EP disclosed
WO-2023117904-A1 METHOD FOR PEPTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2023-06-29 — — WO disclosed
EP-4201951-A1 METHOD FOR PEPTIDE SYNTHESIS Bachem Holding AG (CH) 2023-06-28 — — EP disclosed
Send feedback