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SCHEMBL4383595

SCHEMBL4383595

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccc(Cl)cc1)c(Cl)n2Cc1ccc(Cl)cc1.O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.61
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PLA2G4A P47712 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CNR1 P21554 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2994797 0.98 FAAH (0.63) FAAHMEN1HTTKMT2APLA2G4A
SCHEMBL4083947 0.93 FAAH (0.52) FAAHMEN1KMT2APLA2G4AMAPT
SCHEMBL3008672 0.93 FAAH (0.60) FAAHMEN1HTTKMT2APLA2G4A
SCHEMBL4088958 0.91 FAAH (0.64) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2170308 0.91 FAAH (0.61) FAAHMEN1HTTKMT2AMAPT
SCHEMBL2171179 0.91 FAAH (0.66) FAAHMEN1HTTKMT2AMAPT
SCHEMBL4384405 0.90 FAAH (0.51) FAAHMEN1HTTKMT2APLA2G4A
SCHEMBL4097912 0.89 FAAH (0.51) FAAHMEN1HTTKMT2APLA2G4A
SCHEMBL2168887 0.88 FAAH (0.58) FAAHMEN1HTTKMT2AMAPT
SCHEMBL3006281 0.88 FAAH (0.49) FAAHMEN1KMT2APLA2G4AMAPT

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