SCHEMBL5779253

SCHEMBL5779253

O=C(c1c(F)cccc1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@H]1Cc1ccc(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.38
CHRM3 P20309 3/20 0.38
KCNH2 Q12809 3/20 0.37
GNRHR P30968 2/20 0.37
MAPK14 Q16539 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
P2RX7 Q99572 3/20 0.34
EPHX2 P34913 1/20 0.34
REN P00797 2/20 0.34
CYP3A4 P08684 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
DRD2 P14416 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL5599106 0.96 CHRM1 (0.40) CHRM1CHRM3KCNH2GNRHRCHRM2
SCHEMBL5779582 0.91 P2RX7 (0.41) CHRM1CHRM3KCNH2GNRHRP2RX7
SCHEMBL5780777 0.86 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599287 0.83 CHRM1 (0.36) CHRM1CHRM3KCNH2GNRHRCHRM2
SCHEMBL5785186 0.82 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599430 0.82 CHRM1 (0.36) CHRM1CHRM3KCNH2GNRHRCHRM2
SCHEMBL5599363 0.81 CHRM1 (0.38) CHRM1CHRM3KCNH2GNRHRCHRM2
SCHEMBL5599828 0.81 CHRM1 (0.38) CHRM1CHRM3KCNH2GNRHRCHRM2
SCHEMBL5599091 0.81 CHRM1 (0.42) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5777458 0.81 CHRM1 (0.35) CHRM1CHRM3KCNH2GNRHRCHRM2

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