SCHEMBL6210409

SCHEMBL6210409

CC(C)Cn1c(C(=O)N(C)C)cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.47
SLC6A4 P31645 3/20 0.47
DRD4 P21917 6/20 0.45
DRD2 P14416 2/20 0.45
KCNH2 Q12809 2/20 0.44
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42

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
SCHEMBL6210413 1.00 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2
Hydrochloric Acid SCHEMBL6805660 0.98 HTR1A (0.46) HTR1ASLC6A4DRD4DRD2KCNH2
Hydrochloric Acid SCHEMBL6805651 0.98 HTR1A (0.46) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5585000 0.92 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584998 0.92 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584364 0.91 DRD4 (0.49) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584367 0.91 DRD4 (0.49) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5584898 0.91 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL5585164 0.91 HTR1A (0.48) HTR1ASLC6A4DRD4DRD2KCNH2
SCHEMBL14571523 0.89 HTR1A (0.47) HTR1ASLC6A4DRD4DRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed