SCHEMBL7381529

SCHEMBL7381529

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCNC(=O)c2cn(C)c3ccccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.75
DRD2 P14416 2/20 0.62
DRD4 P21917 2/20 0.62
DRD3 P35462 2/20 0.62

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
SCHEMBL29424261 0.99 HTR4 (0.74) HTR4DRD2DRD4DRD3
SCHEMBL7392458 0.99 HTR4 (0.74) HTR4DRD2DRD4DRD3
SCHEMBL29424265 0.99 HTR4 (0.74) HTR4DRD2DRD4DRD3
SCHEMBL678305 0.99 HTR4 (0.74) HTR4DRD2DRD4DRD3
SCHEMBL7387797 0.96 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL7387800 0.96 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL7391327 0.96 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL7393514 0.95 HTR4 (0.71) HTR4DRD2DRD4DRD3
SCHEMBL7393513 0.95 HTR4 (0.71) HTR4DRD2DRD4DRD3
SCHEMBL7391846 0.95 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 4 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 claimed
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