SCHEMBL18809062

SCHEMBL18809062

O=C(c1cc(OC2CCCCC2)ccn1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
HRH3 Q9Y5N1 5/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
LRRK2 Q5S007 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
TRPC6 Q9Y210 2/20 0.44
PDE4B Q07343 1/20 0.43
CFTR P13569 1/20 0.43
SCD5 Q86SK9 1/20 0.43

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
SCHEMBL15964704 0.80 OPRK1 (0.47) ALDH1A1
SCHEMBL12632993 0.79 HRH3 (0.65) EPHX2HRH3KMT2AMEN1
SCHEMBL17321255 0.78 GRM5 (0.46) EPHX2
SCHEMBL23066789 0.77 OPRK1 (0.47) ALDH1A1
SCHEMBL29770585 0.77 OPRK1 (0.47) ALDH1A1
SCHEMBL18808825 0.77 EPHX2 (0.56) EPHX2
SCHEMBL12355370 0.76 HRH3 (0.58) EPHX2HRH3KMT2AMEN1TRPC6
SCHEMBL18808967 0.75 EPHX2 (0.54) EPHX2CFTR
SCHEMBL1807784 0.75 ACACB (0.49) EPHX2HRH3KMT2AALDH1A1HTT
SCHEMBL15611977 0.75 EPHX2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675274-B1 SORAFENIB DERIVATIVES AS sEH INHIBITORS UNIV CALIFORNIA (US) 2017-05-03 EP disclosed