SCHEMBL9759890

SCHEMBL9759890

O=C1C2C3CS(=O)(=O)CC3C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
HTR1A P08908 2/20 0.67
DRD4 P21917 1/20 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
SCHEMBL9527937 0.86 DRD2 (0.76) DRD2HTR1ADRD4
SCHEMBL9526969 0.84 DRD2 (0.76) DRD2HTR1ADRD4
SCHEMBL9492470 0.83 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL20043775 0.83 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL10925913 0.83 DRD2 (0.90) DRD2HTR1ADRD4
SCHEMBL10663073 0.82 DRD2 (0.72) DRD2HTR1ADRD4
SCHEMBL9759042 0.82
Zalospirone SCHEMBL9526873 0.81 DRD2 (0.72) DRD2HTR1ADRD4
Zalospirone SCHEMBL3374045 0.81 DRD2 (0.72) DRD2HTR1ADRD4
Zalospirone SCHEMBL247563 0.81 DRD2 (0.72) DRD2HTR1ADRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US disclosed