SCHEMBL7654023

SCHEMBL7654023

[CH2]CCCCCc1ccccc1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
SIGMAR1 Q99720 3/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
PTGS2 P35354 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL7652944 0.98 NAAA (0.37) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7653710 0.98 NAAA (0.36) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7652636 0.97 PTGDR2 (0.38) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7652615 0.93 NAAA (0.36) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7648243 0.92 PTGDR2 (0.39) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7650684 0.86 SLC6A2 (0.38) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL5544918 0.84 PTGDR2 (0.41) NAAASLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL28076276 0.82 CYSLTR2 (0.49) SLC6A2SLC6A4CYSLTR2CYSLTR1HTR1D
SCHEMBL11278522 0.82 CYSLTR2 (0.49) SLC6A2SLC6A4CYSLTR2CYSLTR1HTR1D
SCHEMBL7654475 0.81 SIGMAR1 (0.39) SLC6A2SLC6A4SIGMAR1

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