SCHEMBL7646997

SCHEMBL7646997

[CH2]Cc1ccc(C2CCCC2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.39
SLC22A12 Q96S37 8/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
XIAP P98170 1/20 0.32
CEL P19835 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7655573 0.98 CXCR4 (0.41) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7648103 0.86 SLC22A12 (0.38) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7649198 0.85 CXCR4 (0.39) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7648255 0.83 CXCR4 (0.38) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7650825 0.82 SIGMAR1 (0.38) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7649392 0.82 CXCR4 (0.40) CXCR4SLC22A12DRD2SLC6A4PTGDR2
SCHEMBL7648876 0.81 SIGMAR1 (0.40) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL7654475 0.81 SIGMAR1 (0.39) CXCR4SLC22A12DRD2SLC6A4
SCHEMBL15345379 0.81 CXCR4 (0.41) CXCR4SLC22A12DRD2SLC6A4HTR6
SCHEMBL11481536 0.81 CXCR4 (0.41) CXCR4SLC22A12DRD2SLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 CN disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN 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