SCHEMBL7449484

SCHEMBL7449484

CN(C)CCCN(C)C(=O)ONC(=N)c1ccc(N2CC[C@H](NC(=O)NCCC(=O)O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 11/20 0.55
HDAC6 Q9UBN7 4/20 0.35
FPR2 P25090 4/20 0.35
FPR1 P21462 2/20 0.35
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
TMPRSS15 P98073 1/20 0.31

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
SCHEMBL7448301 0.95 ITGB3 (0.56) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7448933 0.93 ITGB3 (0.58) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7448923 0.92 ITGB3 (0.57) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7447031 0.91 ITGB3 (0.69) ITGB3ITGA2BHDAC6FPR2FPR1
Trifluoroacetic Acid SCHEMBL7442341 0.90 ITGB3 (0.51) ITGB3ITGA2BHDAC6FPR2FPR1
Hydrochloric Acid SCHEMBL7447025 0.90 ITGB3 (0.68) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7449825 0.90 ITGB3 (0.55) ITGB3ITGA2BHDAC6FPR2FPR1
Water SCHEMBL7553721 0.90 ITGB3 (0.54) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7453605 0.90 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1
SCHEMBL7450166 0.89 ITGB3 (0.60) ITGB3ITGA2BHDAC6FPR2FPR1

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
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO claimed
WO-1999064397-A1 DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed