SCHEMBL7358352

SCHEMBL7358352

COc1cc(N)c(Cl)cc1CC(=O)CC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.59
ACHE P22303 3/20 0.51
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR3A P46098 1/20 0.45
GAA P10253 1/20 0.41

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
SCHEMBL8971324 0.85 HTR4 (0.60) HTR4ACHEDRD2DRD4
SCHEMBL8970802 0.83 HTR4 (0.61) HTR4ACHEDRD2DRD4
Hydrochloric Acid SCHEMBL8971667 0.82 HTR4 (0.60) HTR4ACHEDRD2DRD4
SCHEMBL8971342 0.81 HTR4 (0.63) HTR4ACHEDRD2DRD4
Hydrochloric Acid SCHEMBL8970748 0.81 HTR4 (0.62) HTR4ACHEDRD2DRD4
SCHEMBL3230370 0.80 HTR4 (0.64) HTR4ACHEDRD2DRD4HTR3A
Hydrochloric Acid SCHEMBL8971374 0.80 DRD2 (0.52) HTR4ACHEDRD2DRD4
Hydrochloric Acid SCHEMBL8971647 0.80 DRD2 (0.52) HTR4ACHEDRD2DRD4
SCHEMBL7254103 0.80 HTR4 (0.42) HTR4ACHEDRD2DRD4HTR3A
Hydrochloric Acid SCHEMBL8973729 0.79 HTR4 (0.63) HTR4ACHEDRD2DRD4HTR3A

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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed