SCHEMBL11430221

SCHEMBL11430221

CC(O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS)C(C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 14/20 0.58
▸ C5AR1 P21730 2/20 0.56
▸ KISS1R Q969F8 1/20 0.53
▸ GLP1R P43220 1/20 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
SCHEMBL11430235 1.00 IL23R (0.58) IL23RC5AR1KISS1RGLP1R
SCHEMBL11324402 0.97 IL23R (0.54) IL23RC5AR1KISS1R
SCHEMBL11324441 0.97 IL23R (0.54) IL23RC5AR1KISS1R
SCHEMBL11427819 0.94 IL23R (0.55) IL23RC5AR1GLP1R
SCHEMBL11427833 0.94 IL23R (0.59) IL23RC5AR1GLP1R
SCHEMBL11410468 0.94 IL23R (0.64) IL23RKISS1R
SCHEMBL11410421 0.94 IL23R (0.64) IL23RKISS1R
SCHEMBL11411927 0.92 C5AR1 (0.58) IL23RC5AR1GLP1R
SCHEMBL11411902 0.92 C5AR1 (0.58) IL23RC5AR1GLP1R
SCHEMBL11420763 0.91 IL23R (0.59) IL23RKISS1R

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
US-4209426-A INHIBIT SECRETION OF GROWTH HORMONE, INSULIN AND GLUCAGON AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 — — US claimed
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