SCHEMBL5012908

SCHEMBL5012908

FC(F)(F)c1ccc(C2=NOC3(CCN(OC(=S)NC4CCCC4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 12/20 0.39
XBP1 P17861 1/20 0.38
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX12 P18054 1/20 0.34
EPHX2 P34913 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
SCHEMBL5012863 0.99 LMNA (0.43) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5011104 0.99 LMNA (0.43) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5012291 0.90 LMNA (0.38) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5012884 0.90 LMNA (0.39) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5012897 0.88 TRPV1 (0.42) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5012234 0.87 LMNA (0.39) LMNAHTTMEN1KMT2ATRPV1
SCHEMBL5011473 0.87 NPC1 (0.39) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5054417 0.86 NPC1 (0.39) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5012874 0.86 NPC1 (0.39) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5015769 0.86 LMNA (0.41) LMNAHTTSMN1; SMN2MEN1KMT2A

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