SCHEMBL6961378

SCHEMBL6961378

O=C1NCCN1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(-c4c[nH]nn4)cc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.72
HTR1A P08908 14/20 0.53
HTR1B P28222 14/20 0.53
DRD2 P14416 2/20 0.53
HTR2C P28335 2/20 0.53
HRH1 P35367 2/20 0.53
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52

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
SCHEMBL6967386 0.89 KCNH2 (0.71) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6953768 0.88 KCNH2 (0.72) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6965636 0.88 KCNH2 (0.72) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6961741 0.88 KCNH2 (0.77) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL9462663 0.87 KCNH2 (0.87) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6967388 0.87 KCNH2 (0.75) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6966610 0.87 HTR1A (0.69) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6961093 0.87 KCNH2 (0.70) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6966424 0.86 KCNH2 (0.74) KCNH2HTR1AHTR1BDRD2HTR2C
SCHEMBL6966989 0.86 KCNH2 (0.71) KCNH2HTR1AHTR1BDRD2HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602889-B1 5-heteroaryl substituted indoles H. LUNDBECK A.S. (DK) 2003-08-05 US disclosed
EP-1068198-B1 5-HETEROARYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2003-05-28 EP disclosed