SCHEMBL5012923

SCHEMBL5012923

Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4Br)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.37
DGAT1 O75907 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL16175735 0.92 KMT2A (0.43) KMT2AL3MBTL1
SCHEMBL16175504 0.91 ALDH1A1 (0.39) KMT2A
SCHEMBL5014388 0.90 KMT2A (0.43) KMT2A
SCHEMBL5014339 0.90 KMT2A (0.39) KMT2AL3MBTL1
SCHEMBL16175752 0.89 KMT2A (0.42) KMT2AEPHX2
SCHEMBL5012967 0.89 KMT2A (0.42) KMT2AEPHX2
SCHEMBL5012231 0.88 TRPM8 (0.39) KMT2A
SCHEMBL5065032 0.88 KMT2A (0.43) KMT2A
SCHEMBL5012814 0.88 KMT2A (0.42) KMT2A
SCHEMBL5012856 0.88 KMT2A (0.42) KMT2AL3MBTL1

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