SCHEMBL7654241

SCHEMBL7654241

[CH2]CCCCCc1ccc(Oc2ccccc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
SLC2A1 P11166 2/20 0.35
SLC6A4 P31645 3/20 0.34
RIPK1 Q13546 1/20 0.34
SLC6A2 P23975 1/20 0.34
CAMK2A Q9UQM7 1/20 0.33
TTR P02766 1/20 0.33
HTR2A P28223 1/20 0.33
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7649179 0.98 HRH1 (0.39) HRH1SLC2A1SLC6A4RIPK1SLC6A2
SCHEMBL7650652 0.94 HRH1 (0.40) HRH1SLC2A1SLC6A4RIPK1SLC6A2
SCHEMBL7650237 0.87 HRH1 (0.42) HRH1SLC2A1SLC6A4RIPK1SLC6A2
SCHEMBL7653319 0.81 HRH1 (0.59) HRH1SLC6A4RIPK1SLC6A2HTR2A
SCHEMBL7648320 0.80 HRH1 (0.41) HRH1SLC6A4RIPK1SLC6A2CAMK2A
SCHEMBL5535030 0.79 HRH1 (0.61) HRH1SLC6A4RIPK1SLC6A2HTR2A
SCHEMBL7652086 0.78 NCEH1 (0.41) SLC2A1SLC6A4
SCHEMBL4447070 0.78 HRH1 (0.64) HRH1SLC6A4LTA4H
SCHEMBL7652685 0.76 NCEH1 (0.42) SLC2A1SLC6A4
SCHEMBL4448343 0.75 TTR (0.51) HRH1SLC6A4RIPK1SLC6A2CAMK2A

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