SCHEMBL5600563

SCHEMBL5600563

O=C(c1cccc(F)c1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@H]1Cc1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.36
FSHR P23945 1/20 0.36
CHRM1 P11229 5/20 0.35
DRD2 P14416 1/20 0.35
MDM2 Q00987 1/20 0.35
CHRM3 P20309 4/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
P2RX7 Q99572 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
ACAT2 Q9BWD1 1/20 0.32

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 0.90 CHRM1 (0.40) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL5782575 0.89 GPR183 (0.34) SMN1; SMN2PTGDR2CHRM1DRD2CHRM3
SCHEMBL5599553 0.88 PTGDR2 (0.33) TSHRPTGDR2FSHRCHRM1DRD2
SCHEMBL5779582 0.86 P2RX7 (0.41) PTGDR2CHRM1DRD2CHRM3P2RX7
SCHEMBL5599289 0.86 DRD2 (0.37) ALDH1A1PTGDR2CHRM1DRD2CHRM3
SCHEMBL5599763 0.85 DRD2 (0.38) ALDH1A1PTGDR2CHRM1DRD2CHRM3
SCHEMBL5599571 0.84 PTGDR2 (0.37) TSHRALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL5780173 0.84 DRD2 (0.36) TSHRALDH1A1PTGDR2FSHRCHRM1
SCHEMBL5783150 0.83 PTGDR2 (0.36) PTGDR2CHRM1DRD2CHRM3CHRM2
SCHEMBL5780283 0.81 PTGDR2 (0.36) TDP1PTGDR2CHRM1DRD2CHRM3

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 3 patents. 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed