SCHEMBL7388642

SCHEMBL7388642

COc1cc(OC)cc(OCCCCCN2CCC(CNC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.75

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
SCHEMBL7391897 0.99 HTR4 (0.77) HTR4
SCHEMBL7388622 0.93 HTR4 (0.71) HTR4
SCHEMBL7389617 0.93 HTR4 (0.72) HTR4
SCHEMBL7389105 0.92 HTR4 (0.69) HTR4
SCHEMBL7387832 0.92 HTR4 (0.71) HTR4
SCHEMBL7393487 0.92 HTR4 (0.71) HTR4
SCHEMBL7394927 0.92 HTR4 (0.71) HTR4
SCHEMBL7393163 0.91 HTR4 (0.70) HTR4
SCHEMBL7390723 0.91 HTR4 (0.70) HTR4
SCHEMBL7389364 0.91 HTR4 (0.72) 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 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