SCHEMBL6969882

SCHEMBL6969882

COc1ccc2c(c1)OC(N(C)CCCc1c[nH]c3ccc(F)cc13)CN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.64
SLC6A4 P31645 11/20 0.53
MPO P05164 3/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46

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 0.80 HTR1A (0.90) HTR1ASLC6A4MPOHTR2A
SCHEMBL7820619 0.71 HTR1A (0.64) HTR1ASLC6A4MPOHTR7
SCHEMBL24497000 0.70 SLC6A4 (1.00) HTR1ASLC6A4MPOHTR3EHTR3B
SCHEMBL5432392 0.70 HTR1A (1.00) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL5794689 0.69 HTR1A (0.98) HTR1ASLC6A4
SCHEMBL7825328 0.68 HTR1A (0.66) HTR1ASLC6A4MPOHTR2A
SCHEMBL7818055 0.68 SLC6A4 (0.58) HTR1ASLC6A4SLC6A2SLC6A3HTR3E
SCHEMBL1968664 0.66 HTR1A (0.72) HTR1ASLC6A4SLC6A2SLC6A3HTR3E
SCHEMBL30419697 0.66 HTR2A (0.67) HTR1ASLC6A4SLC6A2SLC6A3HTR3E
SCHEMBL25282274 0.66 HTR2A (0.67) HTR1ASLC6A4SLC6A2SLC6A3HTR3E

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-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