SCHEMBL5012863

SCHEMBL5012863

FC(F)(F)c1ccc(C2=NOC3(CCN(OC(=S)NC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
XBP1 P17861 1/20 0.39
TRPV1 Q8NER1 11/20 0.38
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
EPHX2 P34913 1/20 0.35
PIM1 P11309 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.34

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
SCHEMBL5011104 1.00 LMNA (0.43) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5012908 0.99 LMNA (0.42) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5012884 0.91 LMNA (0.39) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5012291 0.90 LMNA (0.38) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5012897 0.89 TRPV1 (0.42) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5012874 0.87 NPC1 (0.39) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL5012168 0.87 LMNA (0.41) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5054417 0.87 NPC1 (0.39) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL5015769 0.87 LMNA (0.41) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL5014462 0.87 CHRNB4 (0.39) LMNAHTTSMN1; SMN2KMT2AMEN1

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