SCHEMBL7653478

SCHEMBL7653478

[CH2]c1ccc(C2CCCC2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
CEL P19835 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2C P28335 2/20 0.33
ADRB2 P07550 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
ATM Q13315 1/20 0.31
PDE5A O76074 1/20 0.31

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
SCHEMBL7650796 0.98 CEL (0.36) HTR6DRD2SLC6A4CELTDP1
SCHEMBL7653486 0.76 CYP1A2 (0.52) HTR6DRD2SLC6A4CELHTR2C
SCHEMBL11007946 0.76 IDO1 (0.52) HTR6TDP1HSD17B10
SCHEMBL6557029 0.76 ALDH1A1 (0.46) HTR6DRD2SLC6A4CELTDP1
SCHEMBL7646997 0.76 CXCR4 (0.39) HTR6DRD2SLC6A4CELTDP1
SCHEMBL497994 0.75 SLC6A4 (0.56) DRD2SLC6A4TDP1HSD17B10
SCHEMBL19284708 0.74 HTR6 (0.56) HTR6SLC6A4HTR2CADRB2HTR1A
SCHEMBL7650801 0.74 CYP1A2 (0.50) HTR6DRD2SLC6A4CELTDP1
SCHEMBL13004824 0.74 ALDH1A1 (0.36) HTR6DRD2SLC6A4CELTDP1
SCHEMBL11002147 0.74 IDO1 (0.53) TDP1PTGDR2HSD17B10

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