SCHEMBL29367990

SCHEMBL29367990

CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(N)C(C)C)C(C)O)C(C)C)C(C)O)C(C)C)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.69
▸ NPY1R P25929 1/20 0.69
▸ NPY2R P49146 1/20 0.69
▸ NPY4R P50391 1/20 0.69
▸ NPY5R Q15761 1/20 0.69
▸ CXCR4 P61073 7/20 0.67
▸ GLP1R P43220 6/20 0.65
▸ GRPR P30550 2/20 0.65
▸ GCGR P47871 3/20 0.64
▸ MC4R P32245 1/20 0.64
▸ MC5R P33032 1/20 0.64
▸ MC3R P41968 1/20 0.64
▸ MC1R Q01726 1/20 0.64

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
SCHEMBL29366899 0.94 GLP1R (0.70) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31083828 0.94 GLP1R (0.70) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29351953 0.93 NPY2R (0.74) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31720568 0.92 GRPR (0.70) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29464570 0.89 NPY2R (0.71) CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29462210 0.89 NMBR (0.77) GLP1RGRPRGCGR
SCHEMBL29355231 0.87 NPY1R (0.76) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL23273229 0.87 NMBR (0.69) NPY1RNPY2RNPY4RNPY5RCXCR4
Water SCHEMBL29941416 0.86 NPY1R (0.75) NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31060386 0.86 CALCA (0.75) CALCANPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49961-E1 Solid phase peptide syntheses CEM CORPORATION (US) 2024-05-07 — — US disclosed
EP-3507299-B1 IN-SITU SOLVENT RECYCLING PROCESS FOR SOLID PHASE PEPTIDE SYNTHESIS AT ELEVATED TEMPERATURES CEM CORP (US) 2022-07-27 — — EP disclosed
CN-109311910-B Tacrolimus conjugates, compositions thereof, and uses thereof 杜兰教育基金委员会 2022-02-01 — — CN disclosed
Send feedback