SCHEMBL6971407

SCHEMBL6971407

COc1ccc2c(c1)OC(CNCCCc1c[nH]c3ccc(F)cc13)CN2

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.90
MPO P05164 6/20 0.51
SLC6A4 P31645 4/20 0.49
HTR2A P28223 1/20 0.48

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
SCHEMBL6977070 0.86 HTR1A (0.89) HTR1AMPOSLC6A4
SCHEMBL7825328 0.83 HTR1A (0.66) HTR1AMPOSLC6A4HTR2A
SCHEMBL6969882 0.80 HTR1A (0.64) HTR1AMPOSLC6A4HTR2A
SCHEMBL6968536 0.80 HTR1A (0.60) HTR1AMPOSLC6A4
SCHEMBL6979505 0.77 HTR1A (0.56) HTR1AMPOSLC6A4
SCHEMBL7816824 0.76 HTR1A (0.56) HTR1ASLC6A4HTR2A
SCHEMBL7817700 0.76 HTR2A (0.56) HTR1AHTR2A
SCHEMBL7817265 0.75 HTR1A (0.53) HTR1AHTR2A
SCHEMBL7818119 0.75 HTR1A (0.65) HTR1AMPOSLC6A4
SCHEMBL6978453 0.74 HTR1A (0.90) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP claimed
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed