SCHEMBL7387667

SCHEMBL7387667

CCCNC(=O)NCCCCCN1CC[C@H](CNC(=O)c2cc(Cl)c(N)cc2OC)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.64
DRD4 P21917 2/20 0.64
DRD3 P35462 2/20 0.64
HTR4 Q13639 15/20 0.63

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
SCHEMBL7394168 1.00 DRD2 (0.64) DRD2DRD4DRD3HTR4
SCHEMBL7385692 1.00 DRD2 (0.64) DRD2DRD4DRD3HTR4
SCHEMBL7391827 1.00 DRD2 (0.64) DRD2DRD4DRD3HTR4
SCHEMBL7384630 0.99 DRD2 (0.65) DRD2DRD4DRD3HTR4
SCHEMBL7386727 0.99 DRD2 (0.65) DRD2DRD4DRD3HTR4
SCHEMBL7390427 0.99 DRD2 (0.65) DRD2DRD4DRD3HTR4
SCHEMBL7387260 0.97 HTR4 (0.65) DRD2DRD4DRD3HTR4
SCHEMBL7394204 0.97 DRD2 (0.66) DRD2DRD4DRD3HTR4
SCHEMBL7384305 0.95 DRD2 (0.64) DRD2DRD4DRD3HTR4
SCHEMBL7390409 0.95 HTR4 (0.69) HTR4

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