SCHEMBL7652944

SCHEMBL7652944

[CH2]CCCCCc1ccccc1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
PTGS2 P35354 1/20 0.33
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
CXCR4 P61073 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
SCHEMBL7652636 0.98 PTGDR2 (0.38) NAAAPTGDR2SIGMAR1CYSLTR2CYSLTR1
SCHEMBL7654023 0.98 NAAA (0.35) NAAAPTGDR2SIGMAR1CYSLTR2CYSLTR1
SCHEMBL7653710 0.97 NAAA (0.36) NAAAPTGDR2SIGMAR1CYSLTR2CYSLTR1
SCHEMBL7648243 0.93 PTGDR2 (0.39) NAAAPTGDR2SIGMAR1SLC6A2SLC6A4
SCHEMBL7652615 0.92 NAAA (0.36) NAAAPTGDR2SIGMAR1CYSLTR2CYSLTR1
SCHEMBL5544918 0.86 PTGDR2 (0.41) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL7650684 0.84 SLC6A2 (0.38) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL28076276 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1SLC6A2SLC6A4HTR1D
SCHEMBL11278522 0.84 CYSLTR2 (0.49) CYSLTR2CYSLTR1SLC6A2SLC6A4HTR1D
SCHEMBL27472566 0.82 CYSLTR2 (0.47) NAAAPTGDR2CYSLTR2CYSLTR1HTR1D

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