SCHEMBL11775668

SCHEMBL11775668

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 17/20 0.60
▸ PRMT1 Q99873 1/20 0.57
▸ OPRL1 P41146 1/20 0.56

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
SCHEMBL11773766 1.00 IL23R (0.60) IL23RPRMT1OPRL1
SCHEMBL11775464 0.97 IL23R (0.61) IL23RPRMT1
SCHEMBL11521944 0.94 IL23R (0.58) IL23RPRMT1
SCHEMBL11661276 0.94 IL23R (0.58) IL23R
SCHEMBL11661311 0.94 IL23R (0.58) IL23R
SCHEMBL11592550 0.94 IL23R (0.61) IL23RPRMT1
SCHEMBL27602608 0.94 IL23R (0.61) IL23RPRMT1
SCHEMBL11592493 0.94 IL23R (0.61) IL23RPRMT1
SCHEMBL11990801 0.94 IL23R (0.61) IL23RPRMT1
SCHEMBL27602616 0.94 IL23R (0.61) IL23RPRMT1

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-3991041-A GROWTH HORMONE RELEASE INHIBITOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-11-09 — — US claimed
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