SCHEMBL9056746

SCHEMBL9056746

CC(=O)NCC(C)C(=O)O.O=C1NCCC[C@H]1CCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.42
ITGA2B P08514 13/20 0.42
CCR2 P41597 2/20 0.34
F2R P25116 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL9057580 0.74 ITGB3 (0.48) ITGB3ITGA2BCCR2F2R
SCHEMBL8915987 0.74 ITGB3 (0.48) ITGB3ITGA2BF2RSIGMAR1
SCHEMBL3981005 0.74 ITGB3 (0.69) ITGB3ITGA2BF2R
SCHEMBL9063434 0.74 ITGB3 (0.69) ITGB3ITGA2BF2R
SCHEMBL29015376 0.67 AGER (0.37) CCR2L3MBTL1
SCHEMBL7159970 0.66 ITGB3 (0.49) ITGB3ITGA2BF2R
SCHEMBL468822 0.66 MTNR1A (0.44)
SCHEMBL7351109 0.66 L3MBTL1 (0.40) CCR2L3MBTL1
SCHEMBL13014787 0.65 CPN1 (0.46) ITGB3ITGA2BF2R
SCHEMBL6749320 0.65 CPN1 (0.46) ITGB3ITGA2BF2R

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
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO disclosed