SCHEMBL3629197

SCHEMBL3629197

NC(=O)C1C2CCCC1CC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX5 P09917 1/20 0.33
GLI1 P08151 1/20 0.33
NOS2 P35228 1/20 0.32
GRM2 Q14416 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL27977904 0.86 EPHX1 (0.34) EPHX1KDM4EMAPTKMT2AATM
SCHEMBL2551174 0.85 EPHX1 (0.35) EPHX1KDM4EMAPTKMT2AATM
SCHEMBL19437152 0.76 SMN1; SMN2 (0.31) EPHX1
SCHEMBL3983137 0.74
SCHEMBL9963064 0.74
SCHEMBL2549796 0.74 LMNA (0.33) EPHX1KDM4EMAPTKMT2AATM
SCHEMBL893248 0.74 POLB (0.42) KDM4EMAPTKMT2AGRM2ALDH1A1
SCHEMBL4686502 0.74 POLB (0.42) KDM4EKMT2AGRM2ALDH1A1
SCHEMBL20399871 0.74 CHRNB2 (0.41) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL15232945 0.73 GLI1 (0.32) GLI1ALDH1A1

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-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed