SCHEMBL13770271

SCHEMBL13770271

Cc1ccc(Oc2ncccc2C2CCNCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.78
SLC6A2 P23975 16/20 0.78
SLC6A4 P31645 16/20 0.78
SLC6A3 Q01959 8/20 0.78
PDE10A Q9Y233 1/20 0.55
DRD1 P21728 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL4009081 0.89 HTR1A (0.65) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4013368 0.87 SLC6A2 (1.00) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL31060552 0.87 SLC6A2 (1.00) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
Hydrochloric Acid SCHEMBL4007236 0.86 SLC6A2 (0.97) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL7904960 0.84 HTR1A (0.60) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4005980 0.82 HTR1A (0.70) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL14878659 0.81 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL4157091 0.81 SLC6A2 (0.80) HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4005157 0.80 SLC6A2 (0.98) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL7495157 0.80 HTR1A (0.74) HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed