SCHEMBL7392011

SCHEMBL7392011

CCN(CC)CCCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.71
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL7389671 1.00 HTR4 (0.71) HTR4DRD2DRD4DRD3
SCHEMBL7387664 0.93 HTR4 (0.65) HTR4
SCHEMBL7385847 0.91 DRD2 (0.66) HTR4DRD2DRD4DRD3
SCHEMBL7380916 0.91 DRD2 (0.66) HTR4DRD2DRD4DRD3
SCHEMBL7391065 0.91 HTR4 (0.63) HTR4DRD2DRD4DRD3
SCHEMBL7392142 0.91 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL7389865 0.91 HTR4 (0.63) HTR4DRD2DRD4DRD3
SCHEMBL7390650 0.91 HTR4 (0.62) HTR4DRD2DRD4DRD3
SCHEMBL7389215 0.91 HTR4 (0.63) HTR4DRD2DRD4DRD3
SCHEMBL7391441 0.91 HTR4 (0.62) 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 2 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