SCHEMBL5780997

SCHEMBL5780997

CCC(=O)CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12.CCC(=O)CN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
DRD2 P14416 2/20 0.38
EPHX2 P34913 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ATM Q13315 1/20 0.35
XIAP P98170 3/20 0.35
BIRC2 Q13490 3/20 0.35
RORC P51449 2/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL5578496 0.97 NOTUM (0.46) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5578912 0.94 NOTUM (0.49) NOTUMDRD2EPHX2XIAPBIRC2
SCHEMBL5579118 0.86 NOTUM (0.44) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5578707 0.85 NOTUM (0.43) NOTUMDRD2PTGDR2ATMP2RX7
SCHEMBL5578536 0.84 NOTUM (0.43) NOTUMDRD2PTGDR2ATMP2RX7
SCHEMBL5578686 0.84 NOTUM (0.43) NOTUMDRD2PTGDR2ATM
SCHEMBL5578750 0.83 NOTUM (0.47) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5578781 0.82 NOTUM (0.47) NOTUMEPHX2ATMXIAPBIRC2
SCHEMBL5578519 0.82 KDM4E (0.50) NOTUMDRD2PTGDR2
SCHEMBL5578732 0.82 DRD2 (0.48) NOTUMDRD2PTGDR2ATMP2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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