SCHEMBL8041200

SCHEMBL8041200

COc1cc(N)c(Cl)cc1C(=O)NCCN1CCC(O)CC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.78
DRD4 P21917 1/20 0.68

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
SCHEMBL8041206 0.94 HTR4 (0.79) HTR4
SCHEMBL8053430 0.90 HTR4 (0.76) HTR4DRD4
SCHEMBL8053425 0.87 HTR4 (0.59) HTR4DRD4
SCHEMBL7385997 0.86 DRD2 (0.75) HTR4DRD4
SCHEMBL8054349 0.84 HTR4 (0.77) HTR4DRD4
SCHEMBL8860379 0.84 HTR4 (0.67) HTR4DRD4
SCHEMBL8054437 0.84 HTR4 (0.64) HTR4
SCHEMBL8056568 0.84 HTR4 (0.76) HTR4
SCHEMBL7390711 0.83 HTR4 (0.75) HTR4DRD4
SCHEMBL9118349 0.82 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-0998458-A1 NOVEL BENZAMIDE DERIVATIVES STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY Laboratoires Jacques Logeais (FR) 2000-05-10 EP disclosed
WO-1999005106-A1 NOVEL BENZAMIDE DERIVATIVES STIMULATING HIGH AND LOW GASTROINTESTINAL MOTRICITY LABORATOIRES JACQUES LOGEAIS (FR) 1999-02-04 WO disclosed