SCHEMBL7652069

SCHEMBL7652069

[CH2]CCCC1(c2cccc3ccccc23)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.63
SLC6A4 P31645 11/20 0.63
SLC6A2 P23975 7/20 0.63
HRH3 Q9Y5N1 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 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
SCHEMBL7649384 0.95 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2HRH3
SCHEMBL7652630 0.94 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2HRH3HTR2A
SCHEMBL7650154 0.91 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL7654532 0.84 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL5089817 0.81 SLC6A3 (0.77) SLC6A3SLC6A4SLC6A2
SCHEMBL5085799 0.81 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2
SCHEMBL5086438 0.78 SLC6A4 (0.74) SLC6A3SLC6A4SLC6A2
SCHEMBL3517653 0.78 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2
SCHEMBL15862743 0.76 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL3516027 0.74 SLC6A3 (1.00) 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