SCHEMBL877913

SCHEMBL877913

O=C(CCC1CCCC1)NC1CCc2ccc(OC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 16/20 0.45
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
BCHE P06276 1/20 0.41
LDLR P01130 1/20 0.41

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
SCHEMBL785393 0.83 HPGD (0.43) HPGD
SCHEMBL785456 0.83 HPGD (0.43) HPGD
SCHEMBL803696 0.80 KMT2A (0.46) KDM4EHPGD
SCHEMBL803506 0.80 KMT2A (0.46) KDM4EHPGD
SCHEMBL876311 0.76 ACHE (0.50) KDM4EHPGDACHE
SCHEMBL877933 0.76 ACHE (0.50) ACHEMAOAMAOBBCHE
SCHEMBL875980 0.71 ALDH1A1 (0.58) ACHE
SCHEMBL878469 0.71 ALDH1A1 (0.58) ACHE
SCHEMBL875578 0.71 ACHE (0.46) ACHEMAOAMAOBBCHE
SCHEMBL785411 0.71 NAMPT (0.49) HPGD

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-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed