SCHEMBL5777458

SCHEMBL5777458

CC(C)(C)c1ccc(C[C@H]2N(C(=O)c3c(F)cccc3F)c3ccc(Cl)cc3C23CCNCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.35
CHRM3 P20309 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
MLNR O43193 1/20 0.32
EPHX2 P34913 1/20 0.32
CCR5 P51681 1/20 0.32
GNRHR P30968 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCR9 P51686 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TSHR P16473 1/20 0.32
FSHR P23945 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
SCHEMBL5785186 0.92 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599553 0.91 PTGDR2 (0.33) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5780777 0.88 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599430 0.84 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5782575 0.84 GPR183 (0.34) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599106 0.84 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599363 0.82 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5779253 0.81 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599287 0.81 CHRM1 (0.36) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5599944 0.81 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5

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