SCHEMBL218594

SCHEMBL218594

CCOP(=O)(OCC)N1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.64
KCNH2 Q12809 5/20 0.64
HTR3A P46098 1/20 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
SCHEMBL2739064 0.91 HTR4 (0.65) HTR4KCNH2HTR3A
SCHEMBL2739062 0.88 HTR4 (0.66) HTR4KCNH2HTR3A
SCHEMBL2739063 0.86 HTR4 (0.64) HTR4KCNH2HTR3A
SCHEMBL8054851 0.84 HTR4 (0.77) HTR4KCNH2
SCHEMBL2739066 0.84 HTR4 (0.60) HTR4KCNH2HTR3A
SCHEMBL218595 0.84 HTR4 (0.60) HTR4KCNH2
SCHEMBL6843940 0.84 HTR4 (0.81) HTR4KCNH2
SCHEMBL9021743 0.84 HTR4 (0.81) HTR4KCNH2
SCHEMBL6843942 0.84 HTR4 (0.81) HTR4KCNH2
Water SCHEMBL9721589 0.83 HTR4 (0.76) HTR4KCNH2

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
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed