SCHEMBL5599667

SCHEMBL5599667

C=CC[C@H]1N(C(=O)c2cccc(F)c2F)c2ccccc2C12CCNCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.32
HTT P42858 1/20 0.31
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
GRM5 P41594 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5599482 0.93 HTT (0.37) HTTTSHRSMN1; SMN2
SCHEMBL5780422 0.90 P2RX7 (0.36) ATMHPGDDRD2GRM5HCRTR1
SCHEMBL5781243 0.89 CYP1A2 (0.36)
SCHEMBL5784794 0.85 RXFP1 (0.42) HPGDDRD2
SCHEMBL5778222 0.83 SMYD3 (0.34) HTTTSHR
SCHEMBL5599757 0.83 SIGMAR1 (0.40) DRD2HTTTSHRSMN1; SMN2HTR1A
SCHEMBL5599490 0.81 HPGD (0.34) ATMHPGDDRD2GRM5HCRTR1
SCHEMBL5783958 0.80 PAX8 (0.41)
SCHEMBL5786887 0.79 GNRHR (0.41) DRD2
SCHEMBL5783150 0.78 PTGDR2 (0.36) HPGDDRD2HCRTR1HCRTR2

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