SCHEMBL8915843

SCHEMBL8915843

CC(=O)NCC(C)C(=O)ON1CCC[C@@H](CCC2CC=NCC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33

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
SCHEMBL8915987 0.83 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8618280 0.78 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL8619292 0.64 GPBAR1 (0.34)
SCHEMBL8621103 0.64 ACE (0.34) ITGB3ITGA2B
SCHEMBL8617240 0.64 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL8619325 0.63 MC4R (0.38) ITGB3ITGA2B
SCHEMBL8619314 0.62 MTNR1A (0.40) ITGB3ITGA2B
SCHEMBL8617195 0.61 MC4R (0.39)
SCHEMBL8619355 0.61 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7322436 0.58 HRH3 (0.40) ITGB3ITGA2B

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
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US claimed