SCHEMBL29611859

SCHEMBL29611859

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 8/20 0.55
▸ NTSR2 O95665 6/20 0.55
▸ BDKRB2 P30411 1/20 0.49
▸ OPRD1 P41143 4/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ F2R P25116 2/20 0.48
▸ CAPN1 P07384 2/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ F2 P00734 1/20 0.45

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
SCHEMBL1690986 0.96 NTSR1 (0.54) NTSR1NTSR2BDKRB2OPRD1OPRM1
SCHEMBL1690987 0.96 NTSR1 (0.54) NTSR1NTSR2BDKRB2OPRD1OPRM1
SCHEMBL31000886 0.94 NTSR1 (0.55) NTSR1NTSR2BDKRB2OPRD1OPRM1
SCHEMBL413760 0.88 NTSR2 (0.52) NTSR1NTSR2OPRM1F2RCAPN1
SCHEMBL413759 0.88 NTSR2 (0.52) NTSR1NTSR2OPRM1F2RCAPN1
SCHEMBL30602837 0.86 NTSR1 (0.55) NTSR1NTSR2OPRD1OPRM1F2
SCHEMBL32681278 0.86 NTSR2 (0.52) NTSR1NTSR2OPRM1CAPN1F2
SCHEMBL30733332 0.86 NTSR2 (0.52) NTSR1NTSR2OPRD1OPRM1
SCHEMBL30128358 0.86 BDKRB2 (0.48) NTSR1NTSR2BDKRB2OPRD1OPRM1
SCHEMBL29695547 0.86 OPRM1 (0.49) NTSR1NTSR2BDKRB2OPRD1OPRM1

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-109982685-B Pharmaceutical formulations and process for their preparation 美国安进公司 2022-03-11 — — CN disclosed
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