SCHEMBL7502129

SCHEMBL7502129

O=c1[nH]c2cccc(OCCNCCCc3c[nH]c4ccccc34)c2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.72
SLC6A4 P31645 12/20 0.72
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL7498877 0.88 HTR1A (0.72) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7846504 0.84 HTR1A (1.00) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7843688 0.82 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7835876 0.82 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7498314 0.81 HTR1A (0.74) HTR1ASLC6A4
SCHEMBL7833926 0.80 HTR1A (1.00) HTR1ASLC6A4DRD2
SCHEMBL7494997 0.80 HTR1A (0.74) HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9272887 0.79 HTR1A (0.81) HTR1ASLC6A4
SCHEMBL7502545 0.79 HTR1A (0.46) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL7845074 0.77 HTR1A (0.74) HTR1ASLC6A4DRD2DRD4DRD3

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 2 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 claimed
EP-1068199-B1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-11-13 EP disclosed