SCHEMBL29398077

SCHEMBL29398077

CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ FNTA P49354 4/20 0.44
▸ FNTB P49356 4/20 0.44
▸ PGGT1B P53609 4/20 0.44
▸ GRPR P30550 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL29649733 0.90 OPRD1 (0.49) OPRM1OPRD1
SCHEMBL30974516 0.88 OPRD1 (0.53) OPRM1OPRD1
SCHEMBL29378934 0.88 FNTA (0.51) FNTAFNTBPGGT1BLTA4H
SCHEMBL7996617 0.86 FNTA (0.41) CCKARCCKBRFNTAFNTBPGGT1B
SCHEMBL7996614 0.86 FNTA (0.41) CCKARCCKBRFNTAFNTBPGGT1B
SCHEMBL30692725 0.86 OPRD1 (0.52) OPRM1OPRD1
SCHEMBL30680249 0.85 FNTA (0.38) FNTAFNTBPGGT1BGRPROPRM1
SCHEMBL29565203 0.85 FNTA (0.38) FNTAFNTBPGGT1BGRPROPRM1
SCHEMBL3511481 0.85 BACE1 (0.44) CCKARCCKBRFNTAFNTBPGGT1B
SCHEMBL3511477 0.85 BACE1 (0.44) CCKARCCKBRFNTAFNTBPGGT1B

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
EP-1812062-B1 ANTI-ADDL ANTIBODIES AND USES THEREOF MERCK SHARP & DOHME (US) 2022-03-09 — — EP claimed
EP-1812062-B1 ANTI-ADDL ANTIBODIES AND USES THEREOF MERCK SHARP & DOHME (US) 2022-03-09 — — EP disclosed
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