SCHEMBL7387877

SCHEMBL7387877

COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCN)CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.76

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
SCHEMBL7385451 1.00 HTR4 (0.76) HTR4
SCHEMBL7389801 0.99 HTR4 (0.77) HTR4
SCHEMBL7389964 0.96 HTR4 (0.78) HTR4
SCHEMBL7389932 0.91 HTR4 (0.73) HTR4
SCHEMBL506210 0.90 HTR4 (0.78) HTR4
SCHEMBL7392142 0.90 HTR4 (0.72) HTR4
SCHEMBL9021817 0.89 HTR4 (0.76) HTR4
SCHEMBL7390082 0.88 HTR4 (0.70) HTR4
SCHEMBL7392011 0.88 HTR4 (0.71) HTR4
SCHEMBL7389671 0.88 HTR4 (0.71) 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
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
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed