SCHEMBL5600630

SCHEMBL5600630

O=C(c1cc(Cl)cc(Cl)c1)N1c2ccc(F)cc2C2(CCNCC2)[C@H]1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.36
KCNH2 Q12809 1/20 0.36
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
CRHR1 P34998 2/20 0.33
DPP4 P27487 1/20 0.33
CRHR2 Q13324 1/20 0.33
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL5780895 0.92 PSEN1 (0.40) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599733 0.92 HSD11B1 (0.40) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599242 0.87 CYP3A4 (0.38) GNRHRKCNH2ALDH1A1TSHRHTT
SCHEMBL5599358 0.86 PARP1 (0.36) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5780824 0.86 GNRHR (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599389 0.85 GNRHR (0.40) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599374 0.85 GNRHR (0.40) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5781400 0.84 HSD11B1 (0.35) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5783985 0.84 DPP4 (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599578 0.83 HSD11B1 (0.40) GNRHRKCNH2ALDH1A1HTT

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