SCHEMBL9014775

SCHEMBL9014775

CC(C)Oc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
HTR1A P08908 6/20 0.41
DRD3 P35462 4/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 4/20 0.40
HRH3 Q9Y5N1 4/20 0.38
PTGDR Q13258 1/20 0.38
MAOB P27338 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL9014817 0.89 HTR1A (0.52) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014895 0.88 HTR1A (0.42) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014945 0.88 HTR1A (0.42) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014892 0.86 KCNH2 (0.56) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9265535 0.84 KDM4E (0.44) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014870 0.84 HTR3E (0.45) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014815 0.81 KCNH2 (0.55) DRD2HTR1ADRD3HTR2AKCNH2
SCHEMBL9014874 0.81 DRD2 (0.49) DRD2HTR1ADRD3HTR2AHTR2C
SCHEMBL9014858 0.81 KCNH2 (0.57) DRD2HTR1ADRD3HTR2AKCNH2
SCHEMBL9014685 0.78 DRD3 (0.57) DRD2HTR1ADRD3HTR2AHTR2C

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed