SCHEMBL7654532

SCHEMBL7654532

[CH2]CC1(c2cccc3ccccc23)CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.71
SLC6A4 P31645 13/20 0.71
SLC6A2 P23975 9/20 0.71
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7650154 0.87 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL7652069 0.84 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL7649384 0.83 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2
SCHEMBL3517653 0.83 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL7652630 0.82 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2
SCHEMBL15862743 0.81 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL5089817 0.80 SLC6A3 (0.77) SLC6A3SLC6A4SLC6A2
SCHEMBL3523393 0.79 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL3516027 0.79 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL15862720 0.77 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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