SCHEMBL9014823

SCHEMBL9014823

Cc1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
HTR1A P08908 5/20 0.39
DRD2 P14416 5/20 0.39
HTR2A P28223 4/20 0.39
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 1/20 0.38
MAOB P27338 3/20 0.38
HTR7 P34969 1/20 0.38
SORD Q00796 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL9014715 0.88 HTR1A (0.43) HTR1A
SCHEMBL9014893 0.87 HRH3 (0.50) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9014904 0.85 HRH3 (0.49) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9014689 0.84 HTR1A (0.47) HTR1A
SCHEMBL9014894 0.83 DRD2 (0.52) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9014880 0.83 HTR1A (0.39) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL9014892 0.83 KCNH2 (0.56) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9014676 0.82 HTR1A (0.47) HRH3HTR1ADRD3ABCB1
SCHEMBL9014695 0.79 SLC6A2 (0.45) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL9014678 0.79 KCNH2 (0.40) HRH3HTR1ADRD2HTR2ADRD3

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