SCHEMBL5014557

SCHEMBL5014557

Cc1ccccc1NC(=O)ON1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.38
MIF P14174 1/20 0.36
ACHE P22303 5/20 0.35
BCHE P06276 4/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 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
SCHEMBL5012976 0.92 KMT2A (0.41) CHRM3KMT2AACHEBCHEMAPT
SCHEMBL5014388 0.91 KMT2A (0.43) KMT2AACHEBCHEMAPT
SCHEMBL5012237 0.91 KMT2A (0.43) KMT2AACHEBCHE
SCHEMBL5014339 0.90 KMT2A (0.39) CHRM3KMT2AMIF
SCHEMBL5014399 0.90 CHRM3 (0.39) CHRM3KMT2AMIF
SCHEMBL16175602 0.90 ATM (0.43) CHRM3KMT2AMAPT
SCHEMBL5015747 0.89 CHRM3 (0.40) CHRM3KMT2AMIFACHEBCHE
SCHEMBL5012968 0.89 CHRM3 (0.39) CHRM3KMT2AMIF
SCHEMBL5014501 0.89 TRPV1 (0.41) CHRM3KMT2AMAPT
SCHEMBL16175774 0.89 CYP3A4 (0.41) CHRM3KMT2A

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