SCHEMBL5014339

SCHEMBL5014339

CC(C)(C)c1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4Br)CC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CHRM3 P20309 1/20 0.39
MIF P14174 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL5012231 0.91 TRPM8 (0.39) KMT2ACHRM3FAAH
SCHEMBL5014557 0.90 CHRM3 (0.40) KMT2ACHRM3MIF
SCHEMBL5012923 0.90 KMT2A (0.46) KMT2AL3MBTL1
SCHEMBL16175735 0.90 KMT2A (0.43) KMT2ACHRM3L3MBTL1
SCHEMBL5014399 0.89 CHRM3 (0.39) KMT2ACHRM3MIF
SCHEMBL16175602 0.89 ATM (0.43) KMT2ACHRM3L3MBTL1
SCHEMBL5014501 0.89 TRPV1 (0.41) KMT2ACHRM3L3MBTL1
SCHEMBL5015747 0.89 CHRM3 (0.40) KMT2ACHRM3MIF
SCHEMBL5012968 0.89 CHRM3 (0.39) KMT2ACHRM3MIF
SCHEMBL16175504 0.88 ALDH1A1 (0.39) KMT2ACHRM3

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 6 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO disclosed