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SCHEMBL29697153

SCHEMBL29697153

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.65
▸ CXCR4 P61073 3/20 0.58
▸ GLP1R P43220 5/20 0.58
▸ CTSL P07711 3/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSH P09668 1/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ GCGR P47871 4/20 0.57
▸ GIPR P48546 1/20 0.56
▸ APLNR P35414 1/20 0.56
▸ KISS1R Q969F8 3/20 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
Nerofe SCHEMBL31146290 0.89 CXCR4 (0.62) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31146211 0.89 CXCR4 (0.62) C5AR1CXCR4NPY1RNPY2RNPY4R
Nerofe SCHEMBL29534410 0.89 CXCR4 (0.62) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29913348 0.89 C5AR1 (0.58) C5AR1CXCR4GLP1RCTSLCTSS
SCHEMBL29429574 0.89 GLP1R (0.69) C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31182510 0.89 C5AR1 (0.65) C5AR1CXCR4GLP1RCTSLCTSS
SCHEMBL30495787 0.88 C5AR1 (0.66) C5AR1CXCR4GLP1RNPY1RNPY2R
SCHEMBL9821938 0.88 C5AR1 (0.76) C5AR1CXCR4GLP1RCTSLCTSS
SCHEMBL9822027 0.88 C5AR1 (0.76) C5AR1CXCR4GLP1RCTSLCTSS
SCHEMBL30859276 0.88 NPY1R (0.65) C5AR1CXCR4GLP1RNPY1RNPY2R

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 4 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
EP-4267551-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140493-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio, Inc. (US) 2022-06-30 — — WO 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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