SCHEMBL7372160

SCHEMBL7372160

O=C(O)Nc1c2n(c3ccccc13)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.47
HTR3A P46098 2/20 0.45
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7107763 0.78 HTR4 (0.56) HTR4HTR3AKCNH2
SCHEMBL8113954 0.75 HTR3A (0.47) HTR4HTR3AKCNH2
SCHEMBL5793974 0.74 HTR3A (0.58) HTR4HTR3AKCNH2
SCHEMBL3157359 0.74 HTR3A (0.64) HTR4HTR3AKCNH2
SCHEMBL17176553 0.72 HTR3A (0.59) HTR4HTR3AKCNH2
SCHEMBL8129547 0.72 HTR3A (0.50) HTR4HTR3AKCNH2
SCHEMBL17170659 0.71 HTR3A (0.57) HTR4HTR3AKCNH2
SCHEMBL17170656 0.69 HTR3A (0.59) HTR4HTR3AKCNH2
SCHEMBL19068179 0.69 HTR3A (0.56) HTR4HTR3AKCNH2
SCHEMBL7326328 0.68 HTR4 (0.64) HTR4HTR3A

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
WO-1995031449-A1 NOVEL 3,5-DIMETHYLPIPERIDIN-1-YLALKYL ESTERS SANOFI (FR) 1995-11-23 WO disclosed