SCHEMBL7481973

SCHEMBL7481973

C=CC1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.62
KDM4E B2RXH2 4/20 0.52
ALOX15 P16050 4/20 0.52
HSD17B10 Q99714 2/20 0.52
DRD2 P14416 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTR2C P28335 1/20 0.52
LMNA P02545 4/20 0.49
HTR1A P08908 2/20 0.49
POLB P06746 1/20 0.49
HTR6 P50406 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDO2 P48775 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL6640389 0.82 SLC6A4 (0.65) SLC6A4DRD2HTR2CHTR1AHTR6
SCHEMBL7484417 0.82 SLC6A4 (0.53) SLC6A4HTR1ATDO2
SCHEMBL7483841 0.79 SLC6A4 (0.67) SLC6A4HTR6SLC6A2SLC6A3
SCHEMBL31060978 0.77 SLC6A4 (1.00) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL9703865 0.76 SLC6A4 (0.60) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL14406107 0.72 SLC6A4 (0.55) SLC6A4KDM4EALOX15HSD17B10DRD2
Hydrochloric Acid SCHEMBL11327351 0.71 KDM4E (0.71) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL11314586 0.71 KDM4E (0.71) SLC6A4KDM4EALOX15HSD17B10DRD2
Ethylene SCHEMBL7481976 0.71 DRD2 (0.57) SLC6A4KDM4EALOX15HSD17B10DRD2
SCHEMBL6296691 0.70 DRD2 (0.60) SLC6A4KDM4EALOX15HSD17B10DRD2

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-1068184-B1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-09-04 EP disclosed
EP-1068184-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6110956-A ANTIDEPRESSANTS TREATING DISORDERS OF THE SEROTONIN-AFFECTED NEUROLOGICAL SYSTEMS AMERICAN HOME PRODUCTS CORP. (US) 2000-08-29 US disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed