SCHEMBL5235124

SCHEMBL5235124

Cc1ccc2c3c(ccc2n1)OCC(CNCCCCCc1c[nH]c2ccc(F)cc12)O3

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.46
MPO P05164 3/20 0.44
SLC6A4 P31645 3/20 0.44

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
SCHEMBL5233106 0.99 HTR1A (0.47) HTR1AMPOSLC6A4
SCHEMBL5235551 0.99 HTR1A (0.47) HTR1AMPOSLC6A4
Hydrochloric Acid SCHEMBL5235744 0.98 HTR1A (0.46) HTR1AMPOSLC6A4
SCHEMBL5236560 0.97 HTR1A (0.48) HTR1AMPOSLC6A4
SCHEMBL5234113 0.97 HTR1A (0.48) HTR1AMPOSLC6A4
SCHEMBL5233867 0.94 HTR1A (0.52) HTR1AMPOSLC6A4
SCHEMBL5233437 0.88 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL5239419 0.88 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL5234655 0.88 HTR1A (0.49) HTR1ASLC6A4
SCHEMBL5233813 0.88 HTR1A (0.49) HTR1AMPOSLC6A4

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
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 EP claimed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 EP claimed