SCHEMBL4034845

SCHEMBL4034845

O=C(NC1CCCCC1)ON1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
EPHX1 P07099 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3927356 0.88 LMNA (0.47) SIGMAR1SMN1; SMN2KMT2AALDH1A1CACNA1G
SCHEMBL4032741 0.87 ATM (0.44) SIGMAR1KMT2AALDH1A1MAPTPOLB
SCHEMBL4041282 0.83 ALDH1A1 (0.46) SMN1; SMN2KMT2AALDH1A1CACNA1GEPHX1
SCHEMBL4035704 0.81 NPFFR1 (0.38) SIGMAR1SMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL3923623 0.81 ATM (0.44) SIGMAR1KMT2AALDH1A1MAPTPOLB
SCHEMBL4038442 0.80 KMT2A (0.38) SIGMAR1SMN1; SMN2KMT2AALDH1A1CACNA1G
SCHEMBL3920433 0.80 ATM (0.40) SIGMAR1KMT2AALDH1A1CACNA1GPOLB
SCHEMBL4038603 0.78 ATM (0.42) SIGMAR1KMT2AALDH1A1MAPTPOLB
SCHEMBL1803348 0.78 GRM5 (0.43) SIGMAR1KMT2AALDH1A1POLBATM
SCHEMBL3918988 0.78 ATM (0.43) SIGMAR1KMT2AALDH1A1MAPTPOLB

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-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO disclosed