SCHEMBL3334541

SCHEMBL3334541

CC(=O)NN1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.64
FAAH O00519 9/20 0.64
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
ACACB O00763 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
AADAC P22760 1/20 0.47
FPR2 P25090 2/20 0.47
PROKR1 Q8TCW9 2/20 0.47
RAF1 P04049 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL2763760 0.83 EPHX2 (0.50) EPHX2FAAHACACBFPR2PROKR1
SCHEMBL2763242 0.83 SMN1; SMN2 (0.56) EPHX2FAAHACACBFPR2PROKR1
SCHEMBL2089684 0.82 EPHX2 (0.60) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL3339119 0.82 EPHX2 (0.47) EPHX2FAAHMMP2MMP13ACACB
SCHEMBL2763580 0.82 EPHX2 (0.50) EPHX2FAAHACACBSCN9A
SCHEMBL6097817 0.78 EPHX2 (0.56) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL2056114 0.77 HRH3 (0.58) EPHX2FAAHMMP2MMP13KCNH2
SCHEMBL2089682 0.77 EPHX2 (0.54) EPHX2FAAHMMP2MMP13AADAC
SCHEMBL20588166 0.77 EPHX2 (0.50) EPHX2FAAHMMP2MMP13ACACB
SCHEMBL3028128 0.75 POLB (0.56) EPHX2FAAHMMP2MMP13FPR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US claimed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US claimed
US-8592595-B2 Preparation of (N-heterocyclyl) aryl ethers SALTIGO GMBH (DE) 2013-11-26 US disclosed
US-20100152454-A1 PREPARATION OF (N-HETEROCYCLYL) ARYL ETHERS SALTIGO GMBH (DE) 2010-06-17 US disclosed