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SCHEMBL4544148

SCHEMBL4544148

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.Cc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(c1ncc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(c1ncc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12.O=C(c1ncc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC26A4 O43511 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 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
SCHEMBL1999529 0.91 FAAH (0.40) FAAHLMNASMN1; SMN2
SCHEMBL2001270 0.88 FAAH (0.41) FAAH
SCHEMBL4373645 0.88 SLC26A4 (0.31) L3MBTL1LMNASMN1; SMN2SLC26A4POLB
SCHEMBL2001323 0.87 L3MBTL1 (0.41) FAAHL3MBTL1LMNAALDH1A1MAPT
SCHEMBL15062505 0.87 FAAH (0.32) FAAHL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL2003840 0.85 FAAH (0.40) FAAH
SCHEMBL2004257 0.84 FAAH (0.43) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2005782 0.84 FAAH (0.43) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2000884 0.82 FAAH (0.44) FAAH
SCHEMBL2005391 0.82 F2RL3 (0.37) FAAHLMNASMN1; SMN2

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-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed