SCHEMBL25460148

SCHEMBL25460148

CNC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC=O)C(C)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.65
▸ GRPR P30550 2/20 0.65
▸ C5AR1 P21730 2/20 0.56
▸ IL23R Q5VWK5 1/20 0.53
▸ F2 P00734 4/20 0.53
▸ KISS1R Q969F8 3/20 0.52
▸ CTSL P07711 1/20 0.51
▸ CTSH P09668 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ GLP1R P43220 5/20 0.51
▸ CCKBR P32239 2/20 0.51
▸ GCGR P47871 3/20 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
SCHEMBL25845909 0.90 NMBR (0.66) NMBRGRPRC5AR1IL23RF2
SCHEMBL25845917 0.90 NMBR (0.66) NMBRGRPRC5AR1IL23RF2
SCHEMBL31038378 0.89 NMBR (0.63) NMBRGRPRC5AR1F2GLP1R
SCHEMBL25460022 0.88 NMBR (0.63) NMBRGRPRC5AR1IL23RF2
SCHEMBL30891928 0.88 NMBR (0.63) NMBRGRPRC5AR1IL23RF2
SCHEMBL14930601 0.84 NMBR (0.58) NMBRGRPRIL23RF2KISS1R
SCHEMBL14930600 0.84 NMBR (0.58) NMBRGRPRIL23RF2KISS1R
SCHEMBL25845686 0.84 NMBR (0.58) NMBRGRPRIL23RF2KISS1R
SCHEMBL30567701 0.83 C5AR1 (0.65) NMBRGRPRC5AR1F2GLP1R
SCHEMBL29557894 0.83 C5AR1 (0.59) NMBRGRPRC5AR1IL23RKISS1R

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-2023079142-A2 TARGETED LINEAR CONJUGATES COMPRISING POLYETHYLENEIMINE AND POLYETHYLENE GLYCOL AND POLYPLEXES COMPRISING THE SAME TARGIMMUNE THERAPEUTICS AG (CH) 2023-05-11 — — WO disclosed
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