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SCHEMBL30262125

SCHEMBL30262125

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 3/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ BACE1 P56817 4/20 0.52
▸ BACE2 Q9Y5Z0 1/20 0.52
▸ GLP1R P43220 2/20 0.52
▸ CTSB P07858 1/20 0.51

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
SCHEMBL30262213 0.93 OPRM1 (0.58) TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30712875 0.90 TFPI (0.62) TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30292594 0.89 CTSB (0.53) TFPIBACE1BACE2CTSB
SCHEMBL30974266 0.89 TFPI (0.55) TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30576935 0.89 TFPI (0.57) TFPIBACE1BACE2GLP1R
SCHEMBL30721545 0.87 GLP1R (0.58) TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL29397161 0.86 BACE1 (0.49) OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30974440 0.86 OPRL1 (0.56) TFPIGLP1R
SCHEMBL30950136 0.86 GLP1R (0.65) TFPIGLP1R
SCHEMBL31257077 0.85 OPRM1 (0.57) OPRM1OPRD1OPRK1BACE1

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
US-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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