SCHEMBL7497697

SCHEMBL7497697

Nc1c(OCCNCCCc2c[nH]c3ccc(F)cc23)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.65
SLC6A4 P31645 16/20 0.65
MPO P05164 3/20 0.53

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
SCHEMBL7501316 0.89 HTR1A (0.65) HTR1ASLC6A4
SCHEMBL7503943 0.86 HTR1A (0.73) HTR1ASLC6A4MPO
SCHEMBL7836788 0.79 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL7844899 0.78 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL7840648 0.77 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7837922 0.76 HTR1A (1.00) HTR1ASLC6A4MPO
SCHEMBL7334310 0.75 KDM4E (0.61) HTR1A
SCHEMBL7843603 0.75 HTR1A (0.96) HTR1ASLC6A4
SCHEMBL7845019 0.75 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7848371 0.75 HTR1A (1.00) HTR1ASLC6A4

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
EP-1068199-B1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-11-13 EP disclosed
EP-1068199-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6150533-A ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP. (US) 2000-11-21 US disclosed
WO-1999051591-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed