SCHEMBL6977070

SCHEMBL6977070

Fc1ccc2[nH]cc(CCCNCC3CNc4ccccc4O3)c2c1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.89
MPO P05164 6/20 0.55
SLC6A4 P31645 5/20 0.55

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
SCHEMBL6971407 0.86 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL7818119 0.85 HTR1A (0.65) HTR1AMPOSLC6A4
SCHEMBL7817329 0.82 HTR1A (0.64) HTR1AMPOSLC6A4
SCHEMBL6978453 0.81 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL6973561 0.80 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL6967208 0.80 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL6967864 0.79 HTR1A (0.90) HTR1AMPOSLC6A4
SCHEMBL6977615 0.79 HTR1A (0.58) HTR1AMPOSLC6A4
SCHEMBL6963008 0.79 HTR1A (0.78) HTR1AMPOSLC6A4
SCHEMBL6969254 0.78 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 8 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
US-6313114-B1 ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-11-06 US claimed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO 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
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed