SCHEMBL7390754

SCHEMBL7390754

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCC(=O)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.68
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
SCHEMBL7383008 1.00 HTR4 (0.68) HTR4DRD2DRD4DRD3
SCHEMBL7383377 1.00 HTR4 (0.68) HTR4DRD2DRD4DRD3
SCHEMBL7389673 0.99 HTR4 (0.69) HTR4DRD2DRD4DRD3
SCHEMBL7391671 0.97 HTR4 (0.69) HTR4DRD2DRD4DRD3
SCHEMBL7391277 0.93 HTR4 (0.67) HTR4DRD2DRD4DRD3
SCHEMBL7388674 0.93 HTR4 (0.67) HTR4DRD2DRD4DRD3
SCHEMBL7425183 0.93 HTR4 (0.65) HTR4DRD2DRD4DRD3
SCHEMBL7389346 0.93 HTR4 (0.72) HTR4DRD2DRD4DRD3
SCHEMBL7386832 0.93 HTR4 (0.69) HTR4DRD2DRD4DRD3
SCHEMBL7391606 0.93 HTR4 (0.66) 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-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 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-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed