SCHEMBL11565780

SCHEMBL11565780

CNc1nc(Cl)c(SC)c(N2CCN(CCO)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.72
DRD2 P14416 2/20 0.72
DRD4 P21917 1/20 0.50

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
Mezilamine SCHEMBL2109086 0.84 HTR1A (1.00) HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL11565715 0.76 HTR1A (0.71) HTR1ADRD2DRD4
SCHEMBL11561867 0.76 HTR1A (0.70) HTR1ADRD2DRD4
SCHEMBL11562274 0.73 HTR1A (0.73) HTR1ADRD2
Hydrochloric Acid SCHEMBL11567806 0.72 HTR1A (0.71) HTR1ADRD2
SCHEMBL11567684 0.71 HTR1A (0.75) HTR1ADRD2
Iprozilamine SCHEMBL2108511 0.70 HTR1A (0.73) HTR1ADRD2
SCHEMBL11566082 0.69 HTR1A (0.67) HTR1ADRD2
SCHEMBL10994004 0.69 HTR1A (0.57) HTR1ADRD2DRD4
SCHEMBL11565197 0.68 HTR1A (0.64) HTR1ADRD2DRD4

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-4166852-A ANALGESICS, ANTISEROTONINE AGENTS, PSYCHOTROPES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1979-09-04 US disclosed