SCHEMBL9537696

SCHEMBL9537696

OCCN1CCC(Cc2nc3cccnc3n2Cc2ccccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.60
SLC6A9 P48067 1/20 0.49
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNH2 Q12809 1/20 0.42
ENPP2 Q13822 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SLC18A3 Q16572 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CDK7 P50613 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GRIN2B Q13224 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37

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
Fumaric Acid SCHEMBL10554908 0.93 HRH1 (0.53) HRH1SLC6A9KDM4ESMN1; SMN2KCNH2
SCHEMBL10547503 0.87 SLC6A9 (0.46) HRH1SLC6A9KDM4ESMN1; SMN2KCNH2
SCHEMBL9535787 0.87 KDM4E (0.55) HRH1SLC6A9KDM4ESMN1; SMN2ENPP2
SCHEMBL9535785 0.84 SLC6A9 (0.58) HRH1SLC6A9ENPP2LMNAPOLB
SCHEMBL9383173 0.82 SLC6A9 (0.46) HRH1SLC6A9KDM4ESMN1; SMN2KCNH2
SCHEMBL9538036 0.82 CCR3 (0.48) SLC6A9KDM4ESMN1; SMN2ENPP2LMNA
SCHEMBL9538101 0.82 TP53 (0.47) HRH1SLC6A9KDM4ESMN1; SMN2KCNH2
SCHEMBL8212306 0.81 SLC6A9 (0.76) HRH1SLC6A9KDM4ESMN1; SMN2KCNH2
SCHEMBL9535970 0.81 SLC6A9 (0.55) SLC6A9KCNH2ENPP2LMNA
SCHEMBL9537927 0.78 LMNA (0.55) SLC6A9KDM4ESMN1; SMN2ENPP2LMNA

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-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed