SCHEMBL7389753

SCHEMBL7389753

COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN(CCCCCNC(=O)c2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.72
DRD4 P21917 4/20 0.72
DRD3 P35462 4/20 0.72
HTR4 Q13639 14/20 0.61

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
SCHEMBL7383596 0.99 DRD2 (0.73) DRD2DRD4DRD3HTR4
SCHEMBL7387477 0.97 DRD2 (0.74) DRD2DRD4DRD3HTR4
SCHEMBL7390296 0.97 DRD2 (0.74) DRD2DRD4DRD3HTR4
SCHEMBL7391647 0.97 DRD2 (0.74) DRD2DRD4DRD3HTR4
SCHEMBL7381329 0.95 HTR4 (0.68) DRD2DRD4DRD3HTR4
SCHEMBL7392255 0.95 HTR4 (0.68) DRD2DRD4DRD3HTR4
SCHEMBL7391450 0.94 HTR4 (0.69) DRD2DRD4DRD3HTR4
SCHEMBL7382755 0.94 DRD2 (0.65) DRD2DRD4DRD3HTR4
SCHEMBL8809922 0.94 DRD4 (0.77) DRD2DRD4DRD3HTR4
SCHEMBL7384208 0.93 DRD2 (0.70) DRD2DRD4DRD3HTR4

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
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP claimed
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-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed