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SCHEMBL31174232

SCHEMBL31174232

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 5/20 0.51
▸ NTSR2 O95665 3/20 0.51
▸ SORT1 Q99523 3/20 0.51
▸ OPRD1 P41143 3/20 0.50
▸ CALCR P30988 6/20 0.49
▸ RAMP3 O60896 4/20 0.49

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
SCHEMBL30512644 0.87 NTSR1 (0.56) NTSR1NTSR2SORT1
SCHEMBL30432870 0.86 NPY2R (0.59) CALCRRAMP3
SCHEMBL29509771 0.86 OPRD1 (0.50) NTSR1NTSR2SORT1OPRD1CALCR
SCHEMBL29845666 0.85 OPRD1 (0.56) NTSR1NTSR2SORT1OPRD1CALCR
SCHEMBL30626330 0.85 NTSR2 (0.52) NTSR1NTSR2SORT1
SCHEMBL30512495 0.85 NTSR1 (0.55) NTSR1NTSR2SORT1
SCHEMBL30930178 0.84 CALCR (0.53) CALCRRAMP3
SCHEMBL30906472 0.84 EP300 (0.54) OPRD1CALCR
SCHEMBL31031453 0.84 CAPN1 (0.52) NTSR1NTSR2SORT1CALCRRAMP3
SCHEMBL8937114 0.83 NPY2R (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118853746-A Application of brassica BnNST gene in improving crack resistance of brassica napus 中国农业科学院油料作物研究所 2024-10-29 — — CN disclosed
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