SCHEMBL4562587

SCHEMBL4562587

NC(=O)C1(C(=O)N2CC2)CC[CH]CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.31
ERAP1 Q9NZ08 2/20 0.31
HSD11B1 P28845 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
SCHEMBL5067510 0.80
SCHEMBL5027626 0.77 HSD11B1 (0.36) HSD11B1
SCHEMBL3551350 0.77 HSD11B1 (0.41) HSD11B1
SCHEMBL30635290 0.76 HSD11B1 (0.46) HSD11B1
SCHEMBL5031157 0.75 HSD11B1 (0.42) HSD11B1
SCHEMBL28543459 0.73 MEN1 (0.43) HSD11B1
SCHEMBL7176021 0.73 MEN1 (0.43) HSD11B1
SCHEMBL5031121 0.72 GAA (0.47)
SCHEMBL27606473 0.64
SCHEMBL790002 0.63 CYP2D6 (0.35)

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-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO disclosed