SCHEMBL11411927

SCHEMBL11411927

C[C@@H](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](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ IL23R Q5VWK5 15/20 0.56
▸ GLP1R P43220 2/20 0.52

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
SCHEMBL11411902 1.00 C5AR1 (0.58) C5AR1IL23RGLP1R
SCHEMBL11324441 0.94 IL23R (0.54) C5AR1IL23R
SCHEMBL11324402 0.94 IL23R (0.54) C5AR1IL23R
SCHEMBL11422620 0.94 IL23R (0.62) IL23R
SCHEMBL11418008 0.94 IL23R (0.62) IL23R
SCHEMBL11422637 0.94 IL23R (0.62) IL23R
SCHEMBL11420700 0.94 IL23R (0.62) IL23R
SCHEMBL11420692 0.94 IL23R (0.62) IL23R
SCHEMBL11418049 0.94 IL23R (0.62) IL23R
SCHEMBL11524792 0.94 IL23R (0.59) C5AR1IL23R

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-4204990-A INHIBITORS OF GROWTH HORMONE AND INSULIN SECRETION AMERICAN HOME PRODUCTS CORPORATION (US) 1980-05-27 — — US claimed
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