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Sugi Predict / Compounds / SCHEMBL29742986

SCHEMBL29742986

SCHEMBL29742986

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 9/20 0.59
▸ NPY2R P49146 7/20 0.58
▸ NPY4R P50391 7/20 0.58
▸ NPY5R Q15761 7/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ RAMP3 O60896 5/20 0.56
▸ GLP1R P43220 1/20 0.55
▸ GCGR P47871 1/20 0.55
▸ GIPR P48546 1/20 0.55
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 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
SCHEMBL29649214 0.92 NPY2R (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29943968 0.88 CALCR (0.60) CALCRRAMP3GLP1RGCGRGIPR
SCHEMBL31419704 0.88 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182944 0.88 CALCR (0.60) CALCRRAMP3GLP1RGCGRGIPR
SCHEMBL30432467 0.88 CALCR (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432802 0.87 CALCR (0.56) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416033 0.87 NPY2R (0.55) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31419687 0.86 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29566093 0.86 RAMP3 (0.57) CALCRRAMP3
SCHEMBL30495627 0.86 NPY2R (0.64) CALCRNPY2RNPY4RNPY5RNPY1R

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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