SCHEMBL9014880

SCHEMBL9014880

Cc1ccc(C)c(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.39
DRD2 P14416 4/20 0.39
HTR2A P28223 4/20 0.39
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL9014892 0.83 KCNH2 (0.56) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9014823 0.83 HRH3 (0.43) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9014847 0.82 HPGD (0.55) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL9014715 0.81 HTR1A (0.43) HTR1A
SCHEMBL9014678 0.79 KCNH2 (0.40) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9014877 0.78 DRD2 (0.52) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9014689 0.78 HTR1A (0.47) HTR1A
SCHEMBL9014886 0.78 DRD3 (0.46) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL9014676 0.78 HTR1A (0.47) HTR1ADRD3KCNH2
SCHEMBL9014893 0.78 HRH3 (0.50) HTR1ADRD2HTR2AHTR7DRD3

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