SCHEMBL7145304

SCHEMBL7145304

O=CCCCNc1noc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
EPHX2 P34913 9/20 0.46
ACHE P22303 2/20 0.44
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL6867863 0.79 MAPT (0.50) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL6866395 0.79 KCNA5 (0.50) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL11443225 0.76 KCNA5 (0.57) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL26473733 0.74 EPHX2 (0.51) KCNA5EPHX2TP53SMN1; SMN2MAPT
SCHEMBL7409312 0.73 ELANE (0.35) LMNA
SCHEMBL2768711 0.73 KCNA5 (0.54) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL1760399 0.72 KCNA5 (0.52) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL9828963 0.71 KCNA5 (0.55) KCNA5EPHX2ACHETP53SMN1; SMN2
SCHEMBL5344950 0.70 LMNA (0.54) ACHETP53SMN1; SMN2MAPTCA12
SCHEMBL3516609 0.70 EPHX2 (0.51) KCNA5EPHX2ACHETP53SMN1; SMN2

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
EP-1119571-B1 TRICYCLIC DELTA3-PIPERIDINES AS ALPHA2-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2003-02-19 EP disclosed
US-6495555-B1 CENTRAL ALPHA2-ADRENOCEPTOR ANTAGONISTS; DEPRESSION; PARKINSON'S DISEASE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-17 US disclosed
EP-1119571-A2 TRICYCLIC DELTA3-PIPERIDINES AS ALPHA2-ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-08-01 EP disclosed
WO-2000020421-A2 TRICYCLIC Δ3-PIPERIDINES AS α2-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-13 WO disclosed