SCHEMBL7827780

SCHEMBL7827780

ClCCOc1cccc2c1OCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.43
HTR1A P08908 2/20 0.43
PARP1 P09874 1/20 0.41
SLC6A2 P23975 3/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MTNR1A P48039 4/20 0.38
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
SRC P12931 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL31561756 0.84 SLC6A4 (0.43) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL4191964 0.84 KDM4E (0.47) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL13534211 0.83 SLC6A4 (0.45) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL13533397 0.80 MCHR1 (0.45) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL13533372 0.79 SLC6A4 (0.43) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL6575956 0.79 MTNR1A (0.58) SLC6A4HTR1AMTNR1AADRA1A
SCHEMBL13533385 0.76 PARP1 (0.41) SLC6A4HTR1APARP1SLC6A2HRH1
SCHEMBL7486645 0.75 HTR1A (0.48) SLC6A4HTR1APARP1
SCHEMBL7524518 0.75 KDM4E (0.44) SLC6A4HTR1APARP1MTNR1AHTR2A
SCHEMBL7519010 0.75 HTR1A (0.38) SLC6A4HTR1AMTNR1AHTR2A

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
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed