SCHEMBL27703151

SCHEMBL27703151

Brc1c[c]ccc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
MAPT P10636 1/20 0.35
CSNK2A1 P68400 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MCHR1 Q99705 2/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
PDE4A P27815 1/20 0.33
KMO O15229 2/20 0.32

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
SCHEMBL2887724 0.83 CSNK2A1 (0.37) KMT2AMEN1NPY1RNPY2RMAPT
SCHEMBL17710554 0.79 CSNK2A1 (0.33) CSNK2A1MCHR1PDE4A
SCHEMBL14742168 0.79 CSNK2A1 (0.47) CSNK2A1PDE4AKMO
SCHEMBL27733896 0.79 CSNK2A1 (0.34) CSNK2A1MCHR1PDE4A
SCHEMBL28179624 0.79 MCHR1 (0.39) CSNK2A1MCHR1PDE4A
SCHEMBL315053 0.77 PDE4A (0.48) POLBKMT2AMAPTLMNAPDE4A
SCHEMBL2887418 0.77 PDE4A (0.44) POLBMAPTLMNAPDE4A
SCHEMBL8492806 0.76 PDE4A (0.43) POLBKMT2AMEN1PDE4A
SCHEMBL4888333 0.75 CSNK2A1 (0.44) CSNK2A1MCHR1PDE4AKMO
SCHEMBL2104303 0.75 CSNK2A1 (0.44) CSNK2A1PDE4AKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184739-A Polycyclic * diazoles and iso- * azoles and their use as ligands for the S1P receptor NOVARTIS AG (CH) 2008-05-21 CN disclosed