SCHEMBL5014388

SCHEMBL5014388

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4C)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ACHE P22303 6/20 0.37
BCHE P06276 5/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5012237 0.94 KMT2A (0.43) KMT2AACHEBCHE
SCHEMBL16175774 0.92 CYP3A4 (0.41) KMT2A
SCHEMBL5014557 0.91 CHRM3 (0.40) KMT2AACHEBCHEMAPT
SCHEMBL16175752 0.90 KMT2A (0.42) KMT2A
SCHEMBL5012967 0.90 KMT2A (0.42) KMT2AMAPT
SCHEMBL5012923 0.90 KMT2A (0.46) KMT2A
SCHEMBL5012976 0.90 KMT2A (0.41) KMT2AACHEBCHEMAPT
SCHEMBL5065032 0.90 KMT2A (0.43) KMT2AACHEBCHE
SCHEMBL5012814 0.90 KMT2A (0.42) KMT2AMAPT
SCHEMBL5012856 0.90 KMT2A (0.42) KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed