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SCHEMBL29742994

SCHEMBL29742994

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.73
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ IL23R Q5VWK5 1/20 0.62
▸ NMBR P28336 2/20 0.62
▸ GRPR P30550 2/20 0.62
▸ GLP1R P43220 6/20 0.61
▸ CXCR4 P61073 4/20 0.61
▸ GCGR P47871 3/20 0.60
▸ F2 P00734 1/20 0.59
▸ MC4R P32245 1/20 0.59

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
SCHEMBL31182660 0.93 NPY1R (0.70) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30648457 0.91 C5AR1 (0.69) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30429333 0.90 NPY1R (0.70) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182507 0.90 NPY1R (0.72) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182774 0.90 GLP1R (0.65) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29903369 0.90 C5AR1 (0.67) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607279 0.90 NPY1R (0.68) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29625335 0.89 NPY1R (0.69) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607337 0.89 NPY1R (0.66) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658209 0.89 NPY1R (0.73) C5AR1NPY1RNPY2RNPY4RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
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