SCHEMBL8705388

SCHEMBL8705388

Cc1nccc(OC2CCC(c3ccccc3)CC2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.40
GRM2 Q14416 2/20 0.38
IDO1 P14902 4/20 0.36
AR P10275 2/20 0.36
SLC6A4 P31645 1/20 0.34
MGLL Q99685 1/20 0.34
KMO O15229 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ADRA1A P35348 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL8705390 1.00 S1PR5 (0.40) S1PR5GRM2IDO1ARSLC6A4
SCHEMBL8705541 0.83 GRM2 (0.38) S1PR5GRM2IDO1HTR1AADRA2A
SCHEMBL8705538 0.83 GRM2 (0.38) S1PR5GRM2IDO1HTR1AADRA2A
SCHEMBL8415227 0.78 MAPT (0.39) S1PR5IDO1AR
SCHEMBL8415224 0.78 MAPT (0.39) S1PR5IDO1AR
SCHEMBL17730126 0.76 IDO1 (0.37) IDO1ARKMOTLR9TLR8
SCHEMBL17730123 0.76 IDO1 (0.37) IDO1ARKMOTLR9TLR8
SCHEMBL18016750 0.75 GRM2 (0.36) S1PR5GRM2IDO1ARHTR1A
SCHEMBL17985228 0.75 GRM2 (0.53) S1PR5GRM2IDO1SLC6A4
SCHEMBL17985229 0.75 GRM2 (0.53) S1PR5GRM2IDO1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed