SCHEMBL7220964

SCHEMBL7220964

Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 1.00
SLC6A4 P31645 11/20 1.00
DRD2 P14416 4/20 0.54
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
HTR6 P50406 1/20 0.54

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
SCHEMBL7216072 0.93 HTR1A (1.00) HTR1ASLC6A4DRD2HTR2A
SCHEMBL7213986 0.90 HTR1A (1.00) HTR1ASLC6A4DRD2HTR2A
SCHEMBL7549298 0.82 HTR1A (1.00) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL6594841 0.81 HTR1A (0.68) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL7214578 0.78 HTR1A (1.00) HTR1ASLC6A4DRD2HTR7
SCHEMBL5843574 0.76 HTR1A (0.75) HTR1ASLC6A4DRD2
SCHEMBL15064476 0.75 SLC6A4 (0.69) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL791945 0.74 DRD2 (0.70) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL790948 0.73 DRD2 (0.72) HTR1ASLC6A4DRD2DRD4HTR2A
SCHEMBL7463051 0.72 HTR1A (0.64) HTR1ASLC6A4DRD2DRD4HTR2A

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-6610712-B2 Treating serotonin-related central nervous system disorders WYETH 2003-08-26 US claimed
WO-2002048105-A2 ARYLOXY PIPERIDINYL DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-06-20 WO claimed
US-6610712-B2 Treating serotonin-related central nervous system disorders WYETH 2003-08-26 US disclosed
WO-2002048105-A2 ARYLOXY PIPERIDINYL DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-06-20 WO disclosed