SCHEMBL5599287

SCHEMBL5599287

O=C(c1c(F)cccc1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@H]1Cc1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.36
CHRM3 P20309 3/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
HSD11B1 P28845 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 2/20 0.32
REN P00797 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5780777 0.86 CHRM1 (0.40) CHRM1CHRM3ALDH1A1CHRM2CHRM4
SCHEMBL5599430 0.85 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599106 0.85 CHRM1 (0.40) CHRM1CHRM3LMNACHRM2CHRM4
SCHEMBL5785186 0.84 CHRM1 (0.36) CHRM1CHRM3ALDH1A1LMNACHRM2
SCHEMBL5779253 0.83 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599363 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599828 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599091 0.81 CHRM1 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5777458 0.81 CHRM1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599944 0.81 CHRM1 (0.37) 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