SCHEMBL30512544

SCHEMBL30512544

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.55
▸ NPY1R P25929 9/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ IL23R Q5VWK5 3/20 0.55
▸ TFPI P10646 1/20 0.54

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
SCHEMBL30865074 0.91 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL30880890 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL30569208 0.89 TFPI (0.59) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL31556108 0.89 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29993877 0.87 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30288845 0.87 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30865071 0.87 TFPI (0.61) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL31683486 0.86 TFPI (0.58) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL29488765 0.86 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL30184327 0.86 TFPI (0.60) NPY4RNPY1RNPY5RNPY2RIL23R

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
CN-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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