SCHEMBL5780895

SCHEMBL5780895

O=C(c1ccc(Cl)cc1)N1c2ccc(F)cc2C2(CCNCC2)C1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
GNRHR P30968 2/20 0.38
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.36
HSD11B1 P28845 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5600630 0.92 GNRHR (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5599733 0.90 HSD11B1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5599242 0.87 CYP3A4 (0.38) GNRHRKCNH2HSD11B1
SCHEMBL5599578 0.87 HSD11B1 (0.40) GNRHRKCNH2HSD11B1
SCHEMBL5781400 0.86 HSD11B1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5599358 0.86 PARP1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5599389 0.85 GNRHR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5599374 0.85 GNRHR (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5783881 0.84 TSHR (0.49)
SCHEMBL5783985 0.84 DPP4 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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