Sugi Predict

Sugi Predict / Compounds / SCHEMBL9502194

SCHEMBL9502194

SCHEMBL9502194

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.67
▸ BACE1 P56817 6/20 0.58
▸ BACE2 Q9Y5Z0 2/20 0.56
▸ OPRM1 P35372 5/20 0.53
▸ OPRK1 P41145 2/20 0.53

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
SCHEMBL29649718 0.92 OPRD1 (0.60) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL9848690 0.90 OPRD1 (0.62) OPRD1BACE1BACE2
SCHEMBL9848664 0.90 OPRD1 (0.61) OPRD1BACE1BACE2
SCHEMBL30974267 0.88 BACE1 (0.62) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL30038572 0.85 BACE1 (0.59) OPRD1BACE1BACE2OPRM1
SCHEMBL8332189 0.85 OPRD1 (0.58) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL8332185 0.85 OPRD1 (0.58) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL30974389 0.85 TFPI (0.58) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL30419543 0.84 BACE1 (0.57) OPRD1BACE1BACE2OPRM1
SCHEMBL9848647 0.84 OPRD1 (0.56) OPRD1BACE1BACE2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
EP-0246630-B1 ANTIVIRAL PEPTIDES AND MEANS FOR TREATING HERPES INFECTIONS Cohen, Eric A. (CA) 1993-04-14 — — EP disclosed
US-5066783-A Antiviral peptides and means for treating herpes infections COHEN ERIC A (CA) 1991-11-19 — — US disclosed
US-4795740-A Antiviral peptides and means for treating herpes infections COHEN ERIC A (CA) 1989-01-03 — — US disclosed
EP-0246630-A2 Antiviral peptides and means for treating herpes infections Cohen, Eric A. (CA) 1987-11-25 — — EP disclosed