SCHEMBL5600486

SCHEMBL5600486

C=CC[C@H]1N(C(=O)N2CCCC2)c2ccc(F)cc2C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.36
DPP4 P27487 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP3A4 P08684 1/20 0.34
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
USP2 O75604 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
NAMPT P43490 3/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL5599427 0.92 DPP4 (0.36) GNRHRDPP4MEN1KMT2AALDH1A1
SCHEMBL5599230 0.85 TPSAB1 (0.38) GNRHRDPP4ALDH1A1CHRM2CHRM3
SCHEMBL5616077 0.84 TPSAB1 (0.38) GNRHRDPP4ALDH1A1CHRM2CHRM3
SCHEMBL5786885 0.84 GNRHR (0.33) GNRHRDPP4MEN1KMT2APSEN1
SCHEMBL5778387 0.83 OPRM1 (0.35) GNRHRDPP4PSEN1PSEN2APH1B
SCHEMBL5780824 0.81 GNRHR (0.37) GNRHRDPP4CHRM2CHRM3PSEN1
SCHEMBL5599105 0.79 CHRNB2 (0.34) GNRHRDPP4KCNH2NAMPTPTGDR2
SCHEMBL5780422 0.79 P2RX7 (0.36) GNRHRDPP4ALDH1A1PSEN1PSEN2
SCHEMBL5599768 0.79 GNRHR (0.36) GNRHRDPP4PSEN1PSEN2APH1B
SCHEMBL5786887 0.79 GNRHR (0.41) GNRHRCHRM2CHRM3PSEN1PSEN2

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