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SCHEMBL22117580

SCHEMBL22117580

CC(C)(C)OC(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NC(CCCCNC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.52
▸ NPY4R P50391 10/20 0.43
▸ NPY1R P25929 5/20 0.42
▸ NPY2R P49146 5/20 0.42
▸ NPY5R Q15761 5/20 0.42
▸ CCKBR P32239 1/20 0.40

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
SCHEMBL22117577 1.00 CTSS (0.52) CTSSNPY4RNPY1RNPY2RNPY5R
SCHEMBL22117579 0.94 CTSS (0.58) CTSSCCKBR
SCHEMBL22117578 0.94 CTSS (0.58) CTSSCCKBR
SCHEMBL22117409 0.94 REN (0.48) CTSSNPY4RNPY1RNPY2RNPY5R
SCHEMBL22117410 0.94 REN (0.48) CTSSNPY4RNPY1RNPY2RNPY5R
SCHEMBL28652461 0.90 CTSS (0.48) CTSSNPY4RNPY1RNPY2RNPY5R
SCHEMBL28652457 0.90 CTSS (0.48) CTSSNPY4RNPY1RNPY2RNPY5R
SCHEMBL31679016 0.87 KLK7 (0.50) CTSSNPY4RCCKBR
SCHEMBL31679022 0.86 CTSL (0.51) NPY4RNPY1RNPY2RNPY5RCCKBR
SCHEMBL22117422 0.86 REN (0.54) CTSSNPY4RNPY1RNPY2RNPY5R

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-3898652-A1 MITOCHONDRIA-TARGETING PEPTIDES Stealth Biotherapeutics Corp (MC) 2021-10-27 — — EP disclosed
WO-2020131282-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 — — WO disclosed
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