SCHEMBL7651847

SCHEMBL7651847

CC(=O)Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.Fc1ccc(-n2ccc3cc(Cl)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.58

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
SCHEMBL6581418 0.91 KCNH2 (0.69) KCNH2
Urea SCHEMBL4437676 0.79 ROCK2 (0.54) KCNH2
SCHEMBL8692637 0.79 KCNH2 (0.67) KCNH2
SCHEMBL4295429 0.79 KCNH2 (0.60) KCNH2
SCHEMBL8692718 0.74 KCNH2 (0.72) KCNH2
SCHEMBL6994296 0.73 KCNH2 (0.59) KCNH2
SCHEMBL8691777 0.71 KCNH2 (0.67) KCNH2
SCHEMBL11834266 0.71 KCNH2 (0.74) KCNH2
SCHEMBL6992728 0.70 KCNH2 (0.57) KCNH2
SCHEMBL2476989 0.70 ABCB11 (0.46) KCNH2

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-6489341-B1 REDUCING OR AVOIDING ADVERSE EFFECTS ASSOCIATED WITH THE ADMINISTRATION OF SERTINDOLE, BY ADMINISTRATING A SERTINDOLE DERIVATIVE SUCH AS NOR-SERTINDOLE, 5-OXO-SERTINDOLE, DEHYDRO-SERTINDOLE OR DEHYDRO-NOR-SERTINDOLE SEPRACOR INC. 2002-12-03 US disclosed
WO-2000072837-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROLEPTIC AND RELATED DISORDERS USING SERTINDOLE DERIVATIVES SEPRACOR INC. (US) 2000-12-07 WO disclosed