SCHEMBL7486361

SCHEMBL7486361

O=CC1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.57
HTR1A P08908 4/20 0.57
HTR2A P28223 2/20 0.57
DRD1 P21728 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR1B P28222 1/20 0.57
SLC6A3 Q01959 1/20 0.57
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
IDO1 P14902 3/20 0.50
HSD11B1 P28845 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL7478833 1.00 SLC6A4 (0.57) SLC6A4HTR1AHTR2ADRD1SLC6A2
Formic Acid SCHEMBL27577042 0.82 OPRM1 (0.61) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL5787906 0.81 HTR2A (0.64) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL5786565 0.81 HTR2A (0.64) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL5786564 0.81 HTR2A (0.64) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL7484043 0.81 SLC6A4 (0.65) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL7479378 0.81 SLC6A4 (0.65) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL5793597 0.80 SLC6A4 (0.56) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL2781509 0.80 HTR2C (0.62) SLC6A4HTR1AHTR2ADRD1SLC6A2
SCHEMBL6342293 0.80 HSD11B1 (0.58) SLC6A4HTR1AHTR2ADRD1SLC6A2

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