SCHEMBL8052736

SCHEMBL8052736

CC1CCN(CC2CCCC(NC(=O)c3cc(Cl)c(N)cc3OCC3CC3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.52

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
SCHEMBL8051781 0.90 HTR4 (0.64) HTR4
Lirexapride SCHEMBL384567 0.83 HTR4 (0.50) HTR4
Hydrochloric Acid SCHEMBL11548799 0.78 HTR4 (0.73) HTR4
SCHEMBL11547502 0.78 HTR4 (0.70) HTR4
Hydrochloric Acid SCHEMBL11552502 0.78 HTR4 (0.76) HTR4
Hydrochloric Acid SCHEMBL11549024 0.78 HTR4 (0.69) HTR4
SCHEMBL8040211 0.77 CNR2 (0.47) HTR4
SCHEMBL10412169 0.77 HTR4 (0.76) HTR4
SCHEMBL10523919 0.77 HTR4 (0.76) HTR4
SCHEMBL11545317 0.76 HTR4 (0.78) HTR4

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-0998469-A1 BENZAMIDE CYCLOALKYL STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY Laboratoires Jacques Logeais (FR) 2000-05-10 EP disclosed
WO-1999005133-A1 BENZAMIDE CYCLOALKYL STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY LABORATOIRES JACQUES LOGEAIS (FR) 1999-02-04 WO disclosed