SCHEMBL6409429

SCHEMBL6409429

Cc1ccc(C(C)NC(=O)OC2=NOC3(CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MDM2 Q00987 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6410840 0.87 ALDH1A1 (0.43) LMNAGAAL3MBTL1PKMNPC1
SCHEMBL6411605 0.86 GPR183 (0.40) PKMALDH1A1KMT2A
SCHEMBL2580532 0.84 LMNA (0.43) LMNAGAAKDM4ECYP2C19POLB
SCHEMBL6409449 0.83 CYP2C19 (0.49) LMNAGAAKDM4ECYP2C19POLB
SCHEMBL6411481 0.80 POLB (0.44) GAAKDM4ECYP2C19POLBPKM
SCHEMBL6410174 0.80 ALDH1A1 (0.50) LMNAPOLBL3MBTL1PKMRAB9A
SCHEMBL6409851 0.78 SMN1; SMN2 (0.42) LMNAGAACYP2C19POLBPKM
SCHEMBL6409938 0.78 MAPT (0.56) LMNAGAACYP2C19ALDH1A1KMT2A
SCHEMBL6411879 0.77 EPHX2 (0.43) CYP2C19L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6409939 0.76 ALDH1A1 (0.44) LMNAGAAPOLBRAB9AALDH1A1

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed