SCHEMBL3634855

SCHEMBL3634855

COc1ccccc1OC(C(C)O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
HTR3A P46098 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
DRD2 P14416 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
KCNH2 Q12809 5/20 0.47
SLC6A3 Q01959 5/20 0.47
CYP2D6 P10635 3/20 0.47
HTR7 P34969 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 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
SCHEMBL6193617 1.00 HTR6 (0.48) HTR6HTR3AHTR3EHTR3BADRB1
SCHEMBL6192035 0.84 SLC6A2 (0.45) HTR6SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6260656 0.84 SLC6A2 (0.45) HTR6SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL11464652 0.82 KMT2A (0.44) MAPTKMT2AADRA2AADRA2BADRA2C
SCHEMBL5746091 0.81 KMT2A (0.40) SLC6A2SLC6A4SLC6A3MAPTKMT2A
SCHEMBL6195075 0.78 SLC6A2 (0.41) HTR6SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL4605132 0.77 ADRB3 (0.46) HTR6ADRB1DRD2DRD3SLC6A2
SCHEMBL2329647 0.76 LMNA (0.57) ADRB1DRD2CYP2C19DRD3SLC6A2
SCHEMBL18050256 0.74 LMNA (0.51) HTR6HTR3AHTR3EHTR3BADRB1
SCHEMBL335012 0.74 SLC6A2 (0.54) HTR6HTR3AHTR3EHTR3BADRB1

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
EP-2155697-A1 SUBSTITUTED PIPERAZINES Auspex Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2008157240-A1 SUBSTITUTED PIPERAZINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 WO disclosed