SCHEMBL10412207

SCHEMBL10412207

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

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.64
KCNH2 Q12809 7/20 0.62

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
SCHEMBL8054851 0.86 HTR4 (0.77) HTR4KCNH2
Water SCHEMBL9721584 0.85 HTR4 (0.76) HTR4KCNH2
Water SCHEMBL9721589 0.85 HTR4 (0.76) HTR4KCNH2
Water SCHEMBL9721598 0.85 HTR4 (0.76) HTR4KCNH2
SCHEMBL5391875 0.83 HTR4 (0.63) HTR4KCNH2
SCHEMBL1899997 0.83 HTR4 (0.58) HTR4KCNH2
SCHEMBL30094547 0.83 HTR4 (0.61) HTR4KCNH2
SCHEMBL3316868 0.82 HTR4 (0.73) HTR4KCNH2
SCHEMBL6843940 0.82 HTR4 (0.81) HTR4KCNH2
SCHEMBL6843942 0.82 HTR4 (0.81) 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-4906643-A Substituted N-(3-hydroxy-4-piperidinyl)benzamides as gastrointestinal agents JANSSEN PHARMACEUTICA N.V. (BE) 1990-03-06 US disclosed