SCHEMBL5599280

SCHEMBL5599280

CCCCN1CC2(CCNCC2)c2ccccc2[C@@H]1C(=O)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
GAA P10253 1/20 0.34
NOTUM Q6P988 2/20 0.33
AKT1 P31749 1/20 0.33
SIGMAR1 Q99720 5/20 0.32
EBP Q15125 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5599390 0.68 KDM2B (0.42) AKT1ALDH1A1KCNH2
SCHEMBL5599822 0.68 NOTUM (0.52) NOTUMAKT1SIGMAR1TSHRHSD11B1
SCHEMBL5599270 0.67 NOTUM (0.33) NOTUMAKT1
SCHEMBL4116754 0.67 ACE (0.35) NOTUMAKT1TSHRCYP3A4CYP2D6
SCHEMBL5599454 0.66 KDM2B (0.41)
SCHEMBL3994423 0.66 DPP9 (0.35) NOTUMAKT1SIGMAR1TSHRCYP3A4
SCHEMBL5599646 0.65 AGTR2 (0.34) TSHRCYP3A4CYP2D6
SCHEMBL9047131 0.65 NOTUM (0.53) NOTUMAKT1SIGMAR1
SCHEMBL4108958 0.65 HSD11B1 (0.47) HSD11B1
SCHEMBL5578940 0.65 SIGMAR1 (0.49) NOTUMSIGMAR1EBP

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