SCHEMBL4607915

SCHEMBL4607915

OC1(c2ccc(CCN3CCCC3)cc2)CCC2CN(Cc3ccc(OC(F)(F)F)cc3)CC21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
BCHE P06276 2/20 0.45
BACE1 P56817 2/20 0.45
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
ALDH1A1 P00352 1/20 0.42
LIPE Q05469 1/20 0.41
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TSHR P16473 1/20 0.39
TEAD1 P28347 2/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL4610283 0.88 KDM4E (0.45) ACHEBCHEBACE1ALDH1A1MBTD1
SCHEMBL4608505 0.88 HRH3 (0.53) SLC6A4SLC6A3MBTD1L3MBTL3L3MBTL1
SCHEMBL4608914 0.85 SLC6A3 (0.47) SLC6A3MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4608156 0.81 SLC6A3 (0.46) SLC6A3MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4608628 0.80 HRH3 (0.42) SLC6A3MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4609186 0.79 HRH3 (0.52) SLC6A3MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4610133 0.79 HRH3 (0.44) SLC6A3MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4624651 0.79 ALDH1A1 (0.46) ALDH1A1TSHRHRH3
SCHEMBL14538734 0.79 ALDH1A1 (0.46) ALDH1A1TSHRHRH3
SCHEMBL14538699 0.78 LTA4H (0.49) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948605-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-07-30 EP claimed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO claimed
EP-1948605-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed