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Sugi Predict / Compounds / SCHEMBL29742995

SCHEMBL29742995

SCHEMBL29742995

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ GLP1R P43220 13/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ CXCR4 P61073 1/20 0.55
▸ CALCR P30988 2/20 0.55
▸ NMBR P28336 1/20 0.55
▸ GRPR P30550 1/20 0.55
▸ CALCA P06881 1/20 0.55
▸ GCGR P47871 1/20 0.55
▸ GIPR P48546 1/20 0.55

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
SCHEMBL30712975 0.92 GLP1R (0.59) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29706428 0.91 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31073551 0.90 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29812569 0.90 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30658391 0.90 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495726 0.89 NPY1R (0.63) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495771 0.89 NPY1R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29706349 0.88 GLP1R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182478 0.87 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906382 0.87 NPY1R (0.66) NPY1RNPY2RNPY4RNPY5RGLP1R

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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