SCHEMBL4014492

SCHEMBL4014492

CCOc1ccccc1Oc1ncccc1C1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.77
SLC6A4 P31645 18/20 0.77
HTR1A P08908 17/20 0.77
SLC6A3 Q01959 9/20 0.77
HTR2C P28335 2/20 0.50

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
Hydrochloric Acid SCHEMBL4006996 0.99 SLC6A2 (0.75) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL4007582 0.86 HTR1A (0.97) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL13770273 0.85 HTR1A (0.80) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL13769617 0.83 HTR1A (1.00) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL13769759 0.83 HTR1A (1.00) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL13769615 0.82 SLC6A2 (0.74) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL4013707 0.82 HTR1A (0.97) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL4007273 0.82 HTR1A (0.97) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL5669748 0.82 SLC6A2 (0.68) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL4010932 0.81 SLC6A2 (0.73) SLC6A2SLC6A4HTR1ASLC6A3HTR2C

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

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