SCHEMBL9021817

SCHEMBL9021817

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCC(=O)O)CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.76
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.67
DRD3 P35462 2/20 0.67

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
SCHEMBL9077743 0.94 DRD2 (0.73) HTR4DRD2DRD4DRD3
SCHEMBL9021786 0.91 HTR4 (0.66) HTR4
SCHEMBL506210 0.90 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL7389964 0.90 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL9021969 0.90 HTR4 (0.67) HTR4
SCHEMBL7389801 0.90 HTR4 (0.77) HTR4DRD2DRD4DRD3
SCHEMBL7391671 0.89 HTR4 (0.69) HTR4DRD2DRD4DRD3
SCHEMBL9021907 0.89 HTR4 (0.71) HTR4DRD2DRD4DRD3
SCHEMBL7389932 0.89 HTR4 (0.73) HTR4
SCHEMBL7387877 0.89 HTR4 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701951-B1 MODULATORS OF PERIPHERAL 5-HT RECEPTORS SERODUS AS (NO) 2010-02-10 EP disclosed
EP-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP disclosed