SCHEMBL5211649

SCHEMBL5211649

C=CC(C)C1(C(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
FFAR3 O14843 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
SCHEMBL7052954 0.91 FFAR3 (0.33) TSHRFFAR3
SCHEMBL5218162 0.81 FFAR3 (0.32) FFAR3
SCHEMBL12909504 0.81
SCHEMBL5215540 0.79 NPSR1 (0.40) TSHR
SCHEMBL7154809 0.77 CYP2C19 (0.34)
SCHEMBL6651316 0.76
SCHEMBL3809509 0.75 FFAR3 (0.38) TSHRFFAR3
SCHEMBL14420982 0.73 FFAR3 (0.42) TSHRFFAR3
SCHEMBL2862907 0.73 CYP2C19 (0.38) TSHRFFAR3
SCHEMBL5513287 0.73 CYP2C19 (0.38) TSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732552-A4 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-12-19 EP disclosed
EP-1558599-A4 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-06-27 EP disclosed
EP-1732552-A2 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2006-12-20 EP disclosed
WO-2005070133-A2 2,6-DISUBSTITUTED PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2005-08-04 WO disclosed
EP-1558599-A2 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
WO-2004041777-A2 HETEROARYLPIPERIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 WO disclosed