SCHEMBL4157091

SCHEMBL4157091

Cc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.80
SLC6A4 P31645 19/20 0.80
HTR1A P08908 17/20 0.80
SLC6A3 Q01959 11/20 0.74
HTR6 P50406 1/20 0.45

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
SCHEMBL13770272 0.89 SLC6A4 (1.00) SLC6A2SLC6A4HTR1ASLC6A3HTR6
Hydrochloric Acid SCHEMBL4009907 0.88 SLC6A4 (0.98) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL13769617 0.85 HTR1A (1.00) SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL4005157 0.85 SLC6A2 (0.98) SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL4013707 0.84 HTR1A (0.97) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4704178 0.83 SLC6A2 (0.73) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL13770271 0.81 HTR1A (0.78) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL13769471 0.81 SLC6A4 (1.00) SLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4010653 0.80 HTR1A (0.53) SLC6A2SLC6A4HTR1ASLC6A3
Hydrochloric Acid SCHEMBL4014487 0.80 SLC6A4 (0.98) SLC6A2SLC6A4HTR1ASLC6A3

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