SCHEMBL5782575

SCHEMBL5782575

O=C(c1cccc(F)c1F)N1c2ccc(Cl)cc2C2(CCNCC2)[C@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CCR5 P51681 1/20 0.33
DRD2 P14416 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CHRM1 P11229 4/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
F10 P00742 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
TACR1 P25103 3/20 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
SCHEMBL5599553 0.93 PTGDR2 (0.33) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5785186 0.91 CHRM1 (0.36) GPR183CCR5LTB4RLTB4R2CHRM1
SCHEMBL5600563 0.89 TSHR (0.36) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5777458 0.84 CHRM1 (0.35) CCR5CHRM1CHRM3CHRM2CHRM4
SCHEMBL5779582 0.83 P2RX7 (0.41) PTGDR2DRD2CHRM1CHRM3P2RX7
SCHEMBL5599289 0.82 DRD2 (0.37) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5599763 0.82 DRD2 (0.38) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5599571 0.81 PTGDR2 (0.37) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5780173 0.81 DRD2 (0.36) PTGDR2DRD2CHRM1CHRM3CHRM2
SCHEMBL5783150 0.80 PTGDR2 (0.36) PTGDR2DRD2CHRM1CHRM3CHRM2

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