SCHEMBL5599398

SCHEMBL5599398

CS[C@H](C)CC1N(C(=O)c2c(F)cccc2F)c2ccc(Cl)cc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.36
CHRM3 P20309 6/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
EPHX2 P34913 3/20 0.33
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
RORC P51449 2/20 0.31
IDO1 P14902 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GAA P10253 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
SCHEMBL5599363 0.83 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599944 0.82 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5780777 0.82 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599828 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599106 0.81 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599091 0.81 CHRM1 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599817 0.81 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5777458 0.80 CHRM1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5779253 0.79 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599287 0.79 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed