SCHEMBL6137153

SCHEMBL6137153

NC(=O)C1CC2C=CC1(CO)C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 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
SCHEMBL9802840 0.80
SCHEMBL5395254 0.79 KMT2A (0.30) KMT2A
SCHEMBL3708393 0.74 KMT2A (0.33) KMT2A
SCHEMBL3708394 0.74 KMT2A (0.33) KMT2A
SCHEMBL9674561 0.73
SCHEMBL8613888 0.73 SLC6A4 (0.31)
SCHEMBL710693 0.72
SCHEMBL4404945 0.70 CYP2D6 (0.32)
SCHEMBL7696960 0.70
SCHEMBL8466389 0.69

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
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 EP disclosed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP disclosed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 WO disclosed