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SCHEMBL29697189

SCHEMBL29697189

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 6/20 0.65
▸ IL23R Q5VWK5 3/20 0.64
▸ C5AR1 P21730 1/20 0.61
▸ RAMP3 O60896 1/20 0.59
▸ CALCR P30988 1/20 0.59
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ NMUR2 Q9GZQ4 2/20 0.58
▸ NMUR1 Q9HB89 2/20 0.58
▸ CXCR4 P61073 5/20 0.57
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56

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
SCHEMBL29725113 0.91 IL23R (0.62) KISS1RIL23RC5AR1NPY1RNPY2R
SCHEMBL29463744 0.90 KISS1R (0.60) KISS1RIL23RC5AR1RAMP3CALCR
SCHEMBL29436331 0.90 IL23R (0.70) IL23RC5AR1NPY1RNPY2RNPY4R
SCHEMBL29463717 0.88 CAPN1 (0.63) KISS1RIL23RC5AR1RAMP3CALCR
SCHEMBL31482959 0.88 CXCR4 (0.67) KISS1RIL23RC5AR1NPY1RNPY2R
SCHEMBL34470137 0.88 KISS1R (0.67) KISS1RIL23RC5AR1NPY1RNPY2R
SCHEMBL30716436 0.88 KISS1R (0.63) KISS1RIL23RC5AR1NPY1RNPY2R
SCHEMBL29973644 0.88 KISS1R (0.66) KISS1RIL23RC5AR1NPY1RNPY2R
SCHEMBL30439395 0.87 OPRD1 (0.67) IL23RC5AR1NPY1RNPY2RNPY4R
SCHEMBL30553760 0.87 KISS1R (0.66) KISS1RIL23RC5AR1NPY1RNPY2R

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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