SCHEMBL29093387

SCHEMBL29093387

O=C1CCC2C(=CC=C3CC(=O)CC[C@@H]32)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL8741460 0.88 TLR4 (0.34)
SCHEMBL6249751 0.80 CYP19A1 (0.32)
SCHEMBL27580970 0.76
SCHEMBL27595957 0.76
SCHEMBL27577742 0.76
SCHEMBL11520726 0.75
SCHEMBL6565013 0.75
SCHEMBL4751787 0.74
SCHEMBL27595963 0.72
SCHEMBL10894123 0.69 PDE4A (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940361-A Metroperazine and method for metabolizing salt thereof 纽洛佳斯特拉斯公司 2023-10-24 CN disclosed
CN-116514797-A Novel polymorphic forms of metoclopramide 纽洛佳斯特拉斯公司 2023-08-01 CN disclosed
CN-115667234-A Novel polymorphic forms of metopimazine 纽洛佳斯特拉斯公司 2023-01-31 CN disclosed