SCHEMBL5599490

SCHEMBL5599490

C=CC[C@H]1N(C(=O)c2cccc(F)c2F)c2c(C)ccc(C)c2C12CCNCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DRD2 P14416 1/20 0.31
ATM Q13315 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
SCHEMBL5599667 0.81 ATM (0.37) HPGDGRM5HCRTR1HCRTR2DRD2
SCHEMBL5780422 0.79 P2RX7 (0.36) HPGDGRM5HCRTR1HCRTR2DRD2
SCHEMBL5599482 0.74 HTT (0.37)
SCHEMBL5778222 0.72 SMYD3 (0.34)
SCHEMBL5781243 0.70 CYP1A2 (0.36)
SCHEMBL5783958 0.70 PAX8 (0.41)
SCHEMBL5780173 0.69 DRD2 (0.36) HPGDHCRTR1HCRTR2DRD2
SCHEMBL5783150 0.68 PTGDR2 (0.36) HPGDHCRTR1HCRTR2DRD2
SCHEMBL5579040 0.68 HPGD (0.38) HPGDGRM5HCRTR1HCRTR2DRD2
SCHEMBL5599317 0.67 GNRHR (0.34) DRD2

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