SCHEMBL7389964

SCHEMBL7389964

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

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.78
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
SCHEMBL7389801 0.97 HTR4 (0.77) HTR4DRD2DRD4DRD3
SCHEMBL7385451 0.96 HTR4 (0.76) HTR4
SCHEMBL7387877 0.96 HTR4 (0.76) HTR4
SCHEMBL506210 0.92 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL9021817 0.90 HTR4 (0.76) HTR4DRD2DRD4DRD3
SCHEMBL7389932 0.89 HTR4 (0.73) HTR4
SCHEMBL7392142 0.88 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL725807 0.88 HTR4 (1.00) HTR4DRD2DRD4DRD3
SCHEMBL14827422 0.88 HTR4 (0.75) HTR4DRD2DRD4DRD3
SCHEMBL9021907 0.87 HTR4 (0.71) HTR4DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed