SCHEMBL20588166

SCHEMBL20588166

COC(=O)C(C(C)=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.50
FAAH O00519 11/20 0.50
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
AADAC P22760 1/20 0.46
ACACB O00763 1/20 0.45
RAF1 P04049 1/20 0.44
EPHX1 P07099 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL20588061 0.86 EPHX2 (0.47) EPHX2FAAHEPHX1HRH3
SCHEMBL20588755 0.81 CHRM4 (0.46) EPHX2EPHX1HRH3
SCHEMBL2089684 0.77 EPHX2 (0.60) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL19538662 0.77 HRH3 (0.61) HRH3
SCHEMBL3334541 0.77 EPHX2 (0.64) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL3028128 0.73 POLB (0.56) EPHX2FAAHMMP2MMP13HRH3
SCHEMBL6097817 0.73 EPHX2 (0.56) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL2056114 0.72 HRH3 (0.58) EPHX2FAAHMMP2MMP13HRH3
SCHEMBL2089682 0.72 EPHX2 (0.54) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL17422617 0.72 EPHX2 (0.44) EPHX2FAAHMMP2MMP13AADAC

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-2018229683-A1 5,6-FUSED-BICYCLIC COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2018-12-20 WO disclosed