SCHEMBL10963000

SCHEMBL10963000

CCCCCCCC/C=C\CCCCCCCCN(Cc1c[nH]nn1)Cc1c[nH]nn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
EPHX2 P34913 3/20 0.33
MGLL Q99685 1/20 0.33
TK1 P04183 1/20 0.33

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
SCHEMBL10600723 1.00 KCNH2 (0.35) KCNH2FAAHTRPV1EPHX2MGLL
SCHEMBL10600535 0.91 KCNH2 (0.35) KCNH2
SCHEMBL10600926 0.91 KCNH2 (0.35) KCNH2
SCHEMBL9634211 0.81 EPHX2 (0.41) KCNH2FAAHTRPV1EPHX2
Toluene SCHEMBL28043021 0.78 KCNH2 (0.40) KCNH2
Toluene SCHEMBL28043018 0.78 KCNH2 (0.40) KCNH2
Toluene SCHEMBL28042841 0.77 KCNH2 (0.38) KCNH2
SCHEMBL517594 0.71 FAAH (0.56) KCNH2FAAHTRPV1EPHX2
SCHEMBL10521788 0.71 FAAH (0.56) KCNH2FAAHTRPV1EPHX2
SCHEMBL28875846 0.71 FAAH (0.56) KCNH2FAAHTRPV1EPHX2

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-0160620-A2 Metal deactivators CIBA-GEIGY AG (CH) 1985-11-06 EP disclosed