SCHEMBL9562729

SCHEMBL9562729

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(OCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
HTR2A P28223 3/20 0.34
CYP1A2 P05177 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PPARG P37231 2/20 0.32
GRM2 Q14416 1/20 0.32
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
PSEN1 P49768 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
SCHEMBL9562718 1.00 RIPK1 (0.36) RIPK1HTR2CHTR2BHTR2ACYP1A2
SCHEMBL15445824 1.00 RIPK1 (0.36) RIPK1HTR2CHTR2BHTR2ACYP1A2
SCHEMBL9562724 1.00 RIPK1 (0.36) RIPK1HTR2CHTR2BHTR2ACYP1A2
SCHEMBL9561990 0.96 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2APPARG
SCHEMBL9561984 0.96 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2APPARG
SCHEMBL9561992 0.96 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2APPARG
SCHEMBL15445819 0.96 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2APPARG
SCHEMBL9562331 0.96 RIPK1 (0.37) RIPK1HTR2CHTR2BHTR2ACYP1A2
SCHEMBL15445823 0.96 RIPK1 (0.37) RIPK1HTR2CHTR2BHTR2ACYP1A2
SCHEMBL9562314 0.96 RIPK1 (0.37) RIPK1HTR2CHTR2BHTR2ACYP1A2

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-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed