SCHEMBL9537489

SCHEMBL9537489

CC(Nc1ncc[nH]1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
KCNA5 P22460 3/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2A P08913 10/20 0.34
ADRA2C P18825 10/20 0.34
ADRA1D P25100 8/20 0.34
ADRA1A P35348 8/20 0.34
ADRA1B P35368 8/20 0.34
FFAR2 O15552 1/20 0.33
ALOX15 P16050 1/20 0.33
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PTGES O14684 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
SCHEMBL2625552 0.78
SCHEMBL7455219 0.72 F2RL1 (0.40) KCNA5KCNE1ADRA2AADRA2CALOX15
SCHEMBL22827208 0.71
SCHEMBL25760621 0.71 FDPS (0.50) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL15720305 0.69 ADRA2A (0.41) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL9539151 0.69 ALDH1A1 (0.48) FDPSKCNA5KCNE1ALDH1A1SMN1; SMN2
SCHEMBL3558974 0.68 F2RL1 (0.41) KCNA5KCNE1ALOX15KCNH2HRH3
SCHEMBL2638056 0.66 FDPS (0.53) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL11103701 0.66 FDPS (0.53) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL2638054 0.66 FDPS (0.53) FDPSADRA2AADRA2CADRA1DADRA1A

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 claimed