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SCHEMBL29743002

SCHEMBL29743002

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.44
▸ CALCR P30988 11/20 0.43
▸ RAMP3 O60896 8/20 0.43
▸ RAMP1 O60894 1/20 0.43
▸ NAA50 Q9GZZ1 1/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ NTSR1 P30989 1/20 0.41

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
SCHEMBL31182985 0.82 CALCR (0.51) CALCRRAMP3
SCHEMBL30906457 0.81 CALCR (0.49) CALCRLCALCRRAMP3RAMP1NTSR1
SCHEMBL30906390 0.81 CALCR (0.52) CALCRRAMP3NTSR1
SCHEMBL30906351 0.81 CALCR (0.52) CALCRRAMP3NTSR1
SCHEMBL31235743 0.81 CALCR (0.52) CALCRRAMP3
SCHEMBL29430993 0.80 NAA50 (0.56) CALCRRAMP3NAA50OPRM1OPRD1
SCHEMBL30395364 0.80 CAPN1 (0.48) CALCRRAMP3NAA50OPRM1OPRD1
SCHEMBL30906467 0.80 CALCR (0.50) CALCRLCALCRRAMP3NTSR1
SCHEMBL30906479 0.80 CALCR (0.50) CALCRRAMP3NTSR1
SCHEMBL30431713 0.80 NPY2R (0.52) CALCRRAMP3

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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