SCHEMBL21146569

SCHEMBL21146569

CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 17/20 0.66
▸ MC4R P32245 2/20 0.55

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
SCHEMBL1370998 0.97 IL23R (0.65) IL23RMC4R
SCHEMBL29814670 0.96 IL23R (0.61) IL23RMC4R
SCHEMBL30464995 0.96 IL23R (0.61) IL23RMC4R
SCHEMBL30464982 0.94 IL23R (0.59) IL23RMC4R
SCHEMBL30464985 0.93 IL23R (0.58) IL23RMC4R
SCHEMBL18891548 0.93 MC4R (0.62) IL23RMC4R
SCHEMBL18891483 0.93 MC4R (0.62) IL23RMC4R
SCHEMBL30465002 0.93 IL23R (0.60) IL23RMC4R
SCHEMBL30464981 0.93 IL23R (0.60) IL23RMC4R
SCHEMBL21146600 0.92 IL23R (0.62) IL23RMC4R

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-2019115614-A1 PEPTIDIC MELANOCORTIN 1 RECEPTOR AGONIST - SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 — — WO disclosed
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