SCHEMBL2867213

SCHEMBL2867213

CC1(C)OCC(CCCBr)N1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL3226859 1.00 SPHK1 (0.30) SPHK1
SCHEMBL2316548 0.86 SPHK1 (0.31) SPHK1
SCHEMBL3207970 0.86 SPHK1 (0.31) SPHK1
SCHEMBL2844999 0.86 SPHK1 (0.31) SPHK1
SCHEMBL16053531 0.83 SPHK1 (0.32) SPHK1
SCHEMBL18938507 0.83 SPHK1 (0.42) SPHK1
SCHEMBL18938509 0.83 SPHK1 (0.42) SPHK1
SCHEMBL3213303 0.82
SCHEMBL3213291 0.82
SCHEMBL25331993 0.81 PTPN1 (0.31)

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
EP-2139876-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-01-06 EP disclosed
WO-2008116302-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-10-02 WO disclosed