SCHEMBL5599768

SCHEMBL5599768

C=CCC1N(C(=O)c2cc(Cl)nc(Cl)c2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.36
KCNH2 Q12809 2/20 0.35
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
DPP4 P27487 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL5780824 0.91 GNRHR (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599622 0.89 MAPK1 (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5780470 0.89 MAPK1 (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599124 0.87 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599977 0.85 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5788610 0.85 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5783676 0.85 ALDH1A1 (0.46) GNRHRKCNH2PTGDR2
SCHEMBL5599105 0.84 CHRNB2 (0.34) GNRHRKCNH2DPP4PTGDR2
SCHEMBL5786887 0.84 GNRHR (0.41) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5784997 0.83 GNRHR (0.32) GNRHRKCNH2DPP4

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 1 patent. 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