SCHEMBL5599338

SCHEMBL5599338

C=CC[C@H]1N(C(=O)c2ccc(Cl)s2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.35
GNRHR P30968 2/20 0.34
KCNH2 Q12809 1/20 0.33
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
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 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
SCHEMBL5785441 0.89 POLB (0.32) GNRHRKCNH2ALDH1A1HPGDDPP4
SCHEMBL5599184 0.89 POLB (0.32) GNRHRKCNH2ALDH1A1HPGDDPP4
SCHEMBL5784847 0.87 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5780824 0.84 GNRHR (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5786887 0.83 GNRHR (0.41) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599768 0.83 GNRHR (0.36) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5786885 0.82 GNRHR (0.33) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599977 0.81 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5780470 0.81 MAPK1 (0.37) GNRHRKCNH2PSEN1PSEN2APH1B
SCHEMBL5599124 0.81 GNRHR (0.34) GNRHRKCNH2PSEN1PSEN2APH1B

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