SCHEMBL6969552

SCHEMBL6969552

CC(c1c[nH]c2ccc(C3(O)CCCCC3)cc12)C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 1/20 0.33
PRKAB2 O43741 6/20 0.33
PRKAG1 P54619 6/20 0.33
PRKAA2 P54646 6/20 0.33
PRKAA1 Q13131 6/20 0.33
PRKAG3 Q9UGI9 6/20 0.33
PRKAG2 Q9UGJ0 6/20 0.33
PRKAB1 Q9Y478 6/20 0.33
PDE3A Q14432 1/20 0.31
DRD2 P14416 4/20 0.30
DRD3 P35462 4/20 0.30
DRD4 P21917 3/20 0.30

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
SCHEMBL6975409 0.91 SLC6A2 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL9040223 0.79 SLC6A4 (0.32) SLC6A4SLC6A3SLC6A2
SCHEMBL8208352 0.79 HTR1D (0.40) SLC6A4SLC6A3SLC6A2
SCHEMBL9287655 0.78 HTR1D (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL774639 0.78 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL1697454 0.78 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL8209129 0.78 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL8507358 0.78 HTR1D (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL9287650 0.78 HTR1D (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL8209090 0.78 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP claimed
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP disclosed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US disclosed