SCHEMBL7649384

SCHEMBL7649384

[CH2]CCCCC1(c2cccc3ccccc23)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.61
SLC6A4 P31645 13/20 0.61
SLC6A2 P23975 8/20 0.61
SLC2A1 P11166 1/20 0.34
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7652630 0.99 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2SLC2A1HRH3
SCHEMBL7652069 0.95 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2HRH3
SCHEMBL7650154 0.89 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2
SCHEMBL7654532 0.83 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2
SCHEMBL5089817 0.80 SLC6A3 (0.77) SLC6A3SLC6A4SLC6A2
SCHEMBL5085799 0.79 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2CYP2D6
SCHEMBL5086438 0.77 SLC6A4 (0.74) SLC6A3SLC6A4SLC6A2
SCHEMBL3517653 0.76 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3523393 0.76 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL15862743 0.74 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed