SCHEMBL475607

SCHEMBL475607

COc1cc(OC)cc(C(C)(I)Nc2cc(N3CCNCC3)ccc2C(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.44
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ABCB1 P08183 3/20 0.38
TGFBR1 P36897 1/20 0.38
HTR6 P50406 2/20 0.37
ACVR1 Q04771 2/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALK Q9UM73 3/20 0.36
ABHD6 Q9BV23 1/20 0.36
PLK1 P53350 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL475619 0.81 ADRB1 (0.46) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL475403 0.80 ADRB1 (0.45) ADRB1HTR1AHTR1DHTR1BHTR3E
Hydrochloric Acid SCHEMBL1748218 0.80 ADRB1 (0.45) ADRB1HTR1AHTR1DHTR1BHTR3E
Hydrochloric Acid SCHEMBL1748341 0.79 ADRB1 (0.44) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL3919507 0.79 HTR6 (0.48) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL475714 0.79 MAPT (0.58) ADRB1HTR6CYP2C9
Hydrochloric Acid SCHEMBL5276815 0.79 HTR6 (0.47) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL475613 0.74 ADRB1 (0.48) ADRB1HTR1AHTR1DHTR1BHTR3E
SCHEMBL3920646 0.73 HTR6 (0.50) ADRB1ABCB1HTR6CYP2C9HDAC6
SCHEMBL5274016 0.72 ADRB1 (0.45) ADRB1HTR1AHTR1DHTR1BHTR3E

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-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO disclosed