SCHEMBL2018541

SCHEMBL2018541

CC1(C)CCCC(O)(c2nccs2)C1CO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.33
NR3C1 P04150 1/20 0.31
TRPA1 O75762 3/20 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
Alcohol SCHEMBL6978627 0.71 OPRL1 (0.47) OPRL1NR3C1
SCHEMBL2504705 0.69 SYK (0.41) OPRL1NR3C1
SCHEMBL1356638 0.68 OPRL1 (0.53) OPRL1
SCHEMBL14860791 0.68 OPRL1 (0.35) OPRL1
Alcohol SCHEMBL6978770 0.67 OPRL1 (0.46) OPRL1NR3C1
SCHEMBL29946411 0.67 OPRL1 (0.35) OPRL1
SCHEMBL14862888 0.67 MEN1 (0.35) OPRL1
SCHEMBL9049933 0.65 BACE1 (0.37) OPRL1
SCHEMBL31206791 0.65 OPRL1 (0.36) OPRL1
SCHEMBL899396 0.64 UGT2B7 (0.37) TRPA1

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-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed