SCHEMBL6961072

SCHEMBL6961072

CCn1nnc(-c2ccc3c(c2)c(C2=CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.68
HTR1A P08908 14/20 0.59
HTR1B P28222 14/20 0.59
DRD4 P21917 4/20 0.59
DRD3 P35462 4/20 0.59
HTR2C P28335 3/20 0.59
DRD2 P14416 2/20 0.59
HRH1 P35367 2/20 0.59

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
SCHEMBL6966989 0.94 KCNH2 (0.71) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6967388 0.87 KCNH2 (0.75) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6966610 0.87 HTR1A (0.69) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6966491 0.87 HTR1A (0.69) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6960363 0.87 KCNH2 (0.70) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6965995 0.87 KCNH2 (0.61) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6967386 0.86 KCNH2 (0.71) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6963194 0.85 KCNH2 (0.70) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6953768 0.85 KCNH2 (0.72) KCNH2HTR1AHTR1BDRD4DRD3
SCHEMBL6961741 0.85 KCNH2 (0.77) KCNH2HTR1AHTR1BDRD4DRD3

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-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP claimed