SCHEMBL6972839

SCHEMBL6972839

c1ccc(CN2CC(CNCCCc3c[nH]c4ccccc34)Oc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 1.00
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL6969866 0.85 HTR1A (1.00) HTR1AMAPT
SCHEMBL6974722 0.84 HTR1A (0.88) HTR1AMAPT
SCHEMBL6966558 0.83 HTR1A (0.70) HTR1AMAPTMEN1KMT2ABCHE
SCHEMBL6973663 0.81 HTR1A (0.69) HTR1A
SCHEMBL7828214 0.80 MAPT (0.70) HTR1AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL6973561 0.78 HTR1A (0.90) HTR1A
SCHEMBL7817707 0.77 MAPT (0.68) HTR1AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL6963008 0.77 HTR1A (0.78) HTR1A
SCHEMBL6969254 0.76 HTR1A (0.90) HTR1A
SCHEMBL6967208 0.75 HTR1A (0.90) HTR1A

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 7 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
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