SCHEMBL5599289

SCHEMBL5599289

NCCC[C@H]1N(C(=O)c2cccc(F)c2F)c2ccc(Cl)cc2C12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.36
P2RX7 Q99572 1/20 0.34
CHRM1 P11229 4/20 0.33
CHRM3 P20309 3/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SMYD3 Q9H7B4 2/20 0.31
GNRHR P30968 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 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
SCHEMBL5783150 0.90 PTGDR2 (0.36) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5780283 0.87 PTGDR2 (0.36) DRD2PTGDR2CHRM1CHRM3CHRM2
SCHEMBL5779841 0.86 DRD2 (0.38) DRD2PTGDR2CHRM1CHRM3CHRM2
SCHEMBL5600563 0.86 TSHR (0.36) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5599763 0.85 DRD2 (0.38) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5780173 0.84 DRD2 (0.36) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5599571 0.84 PTGDR2 (0.37) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5779582 0.83 P2RX7 (0.41) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5782575 0.82 GPR183 (0.34) DRD2PTGDR2P2RX7CHRM1CHRM3
SCHEMBL5599553 0.82 PTGDR2 (0.33) DRD2PTGDR2P2RX7CHRM1CHRM3

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