SCHEMBL6975409

SCHEMBL6975409

CC(c1c[nH]c2ccc(C3(O)CCOCC3)cc12)C1CCCN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30
HTR1D P28221 1/20 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
SCHEMBL6969552 0.91 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL6964366 0.79 HTR1D (0.38) SLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL7256853 0.77 HTR1D (0.35) SLC6A2SLC6A4SLC6A3PDE2APDE10A
SCHEMBL8208352 0.77 HTR1D (0.40) SLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL8507358 0.76 HTR1D (0.45) SLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL8209090 0.76 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL9287655 0.76 HTR1D (0.42) SLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL8209129 0.76 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1697454 0.76 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL774639 0.76 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3

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