SCHEMBL8915987

SCHEMBL8915987

CC(=O)NCC(C)C(=O)ON1CCC[C@@H](CCC2CCNCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F2R P25116 5/20 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
SCHEMBL8915843 0.83 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL8618280 0.79 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL9056746 0.74 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1F2R
SCHEMBL9063434 0.73 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL3981005 0.73 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7159970 0.68 ITGB3 (0.49) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL24322585 0.66 ITGB3 (0.66) ITGB3ITGA2BF2F10F2R
SCHEMBL6886518 0.65 ITGB3 (1.00) ITGB3ITGA2BF2F10F2R
SCHEMBL13039757 0.65 ITGB3 (0.71) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL9112266 0.63 ITGB3 (0.70) 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 2 patents. 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
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed