SCHEMBL29800092

SCHEMBL29800092

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 6/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ IL23R Q5VWK5 5/20 0.50
▸ NPY1R P25929 3/20 0.50
▸ NPY2R P49146 3/20 0.50
▸ NPY4R P50391 3/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ ACE P12821 1/20 0.48

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
SCHEMBL30339696 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL30148460 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL30302874 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL30305295 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL31110538 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL29732610 1.00 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL30093131 0.98 MAGI3 (0.52) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL30945346 0.98 MAGI3 (0.52) KISS1RMAGI3IL23RNPY1RNPY2R
SCHEMBL29732783 0.97 MAGI3 (0.54) KISS1RMAGI3IL23RPRMT1
SCHEMBL30305302 0.97 KISS1R (0.54) KISS1RMAGI3IL23RNPY1RNPY2R

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
WO-2022173981-A1 INTRAVENOUS ADMINISTRATION OF ENGINEERED ANTIMICROBIAL AMPHIPHILIC PEPTIDES PEPTILOGICS, INC. (US) 2022-08-18 — — WO disclosed
Send feedback