SCHEMBL5600002

SCHEMBL5600002

O=C(c1cccc(F)c1F)N1c2ccc(F)cc2C2(CCNCC2)[C@H]1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HPGD P15428 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CHRM1 P11229 3/20 0.33
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
DPP4 P27487 1/20 0.32
ATM Q13315 1/20 0.32
KDM1A O60341 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
USP2 O75604 2/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL5782306 0.93 HTR2A (0.40) HCRTR1HCRTR2HTR2AHTR2CGNRHR
SCHEMBL5783985 0.89 DPP4 (0.34) HTR2AHTR2CGNRHRKCNH2DPP4
SCHEMBL5599358 0.89 PARP1 (0.36) CHRM1GNRHRKCNH2DPP4KDM1A
SCHEMBL5599374 0.87 GNRHR (0.40) P2RX7CHRM1GNRHRKCNH2PSEN1
SCHEMBL5599389 0.87 GNRHR (0.40) P2RX7CHRM1GNRHRKCNH2PSEN1
SCHEMBL5780422 0.86 P2RX7 (0.36) P2RX7HCRTR1HCRTR2HPGDGNRHR
SCHEMBL5599242 0.86 CYP3A4 (0.38) GNRHRKCNH2CYP2D6ALDH1A1CYP2C19
SCHEMBL5782925 0.85 LMNA (0.39) HCRTR1HCRTR2ALDH1A1CYP2C19
SCHEMBL5599710 0.84 GLA (0.37) CHRM1GNRHRKCNH2ALOX15CRHR1
SCHEMBL5780537 0.84 P2RX7 (0.40) P2RX7HCRTR1HCRTR2HPGDGNRHR

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