SCHEMBL9562632

SCHEMBL9562632

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KDM1A O60341 2/20 0.33
GRM2 Q14416 5/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RBP4 P02753 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 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
SCHEMBL9562621 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL15445821 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL9562614 1.00 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL24170298 0.97 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BGRM2
SCHEMBL9924975 0.96 HTR2C (0.35) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL9562673 0.96 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL9562663 0.96 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL15445818 0.96 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL9562655 0.96 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BKDM1A
SCHEMBL9406194 0.96 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BKDM1A

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