SCHEMBL9405669

SCHEMBL9405669

CCCCC[C@H]1CC[C@H](COc2ccc(CCCC)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
CNR2 P34972 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CNR1 P21554 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GRM2 Q14416 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TYR P14679 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RBP4 P02753 1/20 0.31
CTSL P07711 1/20 0.30

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
SCHEMBL9405667 1.00 RIPK1 (0.38) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405965 0.97 RIPK1 (0.38) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405961 0.97 RIPK1 (0.38) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429738 0.96 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL10429736 0.96 RIPK1 (0.36) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405787 0.96 RIPK1 (0.37) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405791 0.96 RIPK1 (0.37) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9406004 0.96 RIPK1 (0.37) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9406008 0.96 RIPK1 (0.37) RIPK1CNR2HTR2AHTR2CHTR2B
SCHEMBL9405775 0.96 RIPK1 (0.37) RIPK1CNR2HTR2AHTR2CHTR2B

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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed