SCHEMBL5599430

SCHEMBL5599430

O=C(c1c(F)cccc1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@H]1Cc1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.36
CHRM3 P20309 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
EPHX2 P34913 2/20 0.32
RORC P51449 1/20 0.31
GNRHR P30968 1/20 0.30
KCNH2 Q12809 1/20 0.30
DRD2 P14416 1/20 0.30
CCKBR P32239 1/20 0.30
MDM2 Q00987 1/20 0.30
TSHR P16473 1/20 0.30
FSHR P23945 1/20 0.30
BACE1 P56817 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
FFAR2 O15552 1/20 0.30

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 0.89 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599287 0.85 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5785186 0.85 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599106 0.84 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5777458 0.84 CHRM1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5779253 0.82 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599828 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599363 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599091 0.81 CHRM1 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599817 0.80 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