SCHEMBL10523904

SCHEMBL10523904

N#CCCc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.39
SLC6A4 P31645 11/20 0.39
KCNH2 Q12809 11/20 0.39
CETP P11597 2/20 0.35
THRB P10828 2/20 0.33
AR P10275 2/20 0.32
FFAR1 O14842 1/20 0.32
THRA P10827 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
SCHEMBL10517400 0.93 HTR2A (0.42) HTR2ASLC6A4KCNH2CETPTHRB
SCHEMBL10516472 0.84 HTR2A (0.41) HTR2ASLC6A4KCNH2CETPTHRB
SCHEMBL9794574 0.84 MTNR1A (0.35) HTR2ATHRBARTHRA
SCHEMBL10523936 0.81 FFAR1 (0.50) CETPTHRBFFAR1THRA
SCHEMBL10517017 0.81 AR (0.36) HTR2ASLC6A4KCNH2THRBAR
SCHEMBL10516372 0.80 AR (0.37) HTR2ASLC6A4KCNH2THRBAR
SCHEMBL9711446 0.78 TRPV4 (0.35) HTR2ASLC6A4KCNH2THRBAR
SCHEMBL10516760 0.77 HTR2A (0.39) HTR2ASLC6A4KCNH2CETPTHRB
SCHEMBL11041547 0.76 KIF11 (0.41) AR
SCHEMBL3104195 0.74 TLR7 (0.39) HTR2ASLC6A4KCNH2FFAR1

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
EP-0313908-A2 Halogen-substituted phenoxyphenylpropionic acid derivatives BAYER AG (DE) 1989-05-03 EP disclosed