SCHEMBL4610283

SCHEMBL4610283

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRL1 P41146 3/20 0.44
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
OPRM1 P35372 1/20 0.41
TEAD1 P28347 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CHKA P35790 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PTGER4 P35408 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
SCHEMBL4608914 0.88 SLC6A3 (0.47) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4607915 0.88 ACHE (0.45) ALDH1A1MBTD1L3MBTL3L3MBTL1BCHE
SCHEMBL4608505 0.84 HRH3 (0.53) KDM4EMBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4608156 0.83 SLC6A3 (0.46) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4608628 0.82 HRH3 (0.42) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4609186 0.81 HRH3 (0.52) OPRL1MBTD1L3MBTL3L3MBTL1OPRM1
SCHEMBL4610133 0.81 HRH3 (0.44) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4654451 0.80 L3MBTL3 (0.38) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL4607800 0.80 HRH3 (0.39) MBTD1L3MBTL3L3MBTL1HRH3
SCHEMBL14538837 0.77 L3MBTL3 (0.47) MBTD1L3MBTL3L3MBTL1HRH3

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 3 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
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