SCHEMBL7677769

SCHEMBL7677769

CC(=O)N(C)c1ccc2c(c1)CCC(=CN1CCCC1)C2=O.CNC(=O)Cc1ccc2c(c1)CCC(=CN(C)C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ AKR1B1 P15121 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TP53 P04637 1/20 0.30

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
SCHEMBL7655105 0.89 MIF (0.41) CYP26A1MIFBCHEACHEKDM4E
SCHEMBL7655099 0.89 MIF (0.41) CYP26A1MIFBCHEACHEKDM4E
SCHEMBL5582796 0.84 MIF (0.45) CYP26A1MIFBCHEACHE
SCHEMBL5582539 0.84 MIF (0.45) CYP26A1MIFBCHEACHE
SCHEMBL5582542 0.84 MIF (0.45) CYP26A1MIFBCHEACHE
SCHEMBL7655111 0.82 KDM4E (0.40) CYP26A1MIFBCHEACHEKDM4E
SCHEMBL7677763 0.82 KDM4E (0.40) CYP26A1MIFBCHEACHEKDM4E
SCHEMBL5583024 0.80 MIF (0.48) CYP26A1MIFACHEKDM4EMEN1
SCHEMBL5582959 0.80 MIF (0.48) CYP26A1MIFACHEKDM4EMEN1
SCHEMBL5582960 0.80 MIF (0.48) CYP26A1MIFACHEKDM4EMEN1

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-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 — — EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 — — WO disclosed
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