SCHEMBL6984405

SCHEMBL6984405

CC(C)(C)OC(=O)c1cccnc1NCC(=O)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 19/20 0.50
EPHX2 P34913 1/20 0.44

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
SCHEMBL6976928 0.87 SCD (0.54) SCD
SCHEMBL6981269 0.81 SCD (0.52) SCDEPHX2
SCHEMBL6354166 0.79 EPHX2 (0.57) SCDEPHX2
SCHEMBL6985709 0.79 SIGLEC9 (0.45) SCDEPHX2
SCHEMBL6356500 0.78 EPHX2 (0.53) SCDEPHX2
SCHEMBL6977312 0.77 SCD (0.46) SCDEPHX2
SCHEMBL29749275 0.77 GPR119 (0.62) EPHX2
SCHEMBL1087898 0.77 GPR119 (0.62) EPHX2
SCHEMBL6983361 0.75 SCD (0.48) SCD
SCHEMBL7490139 0.73 GPR119 (0.57) EPHX2

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed