SCHEMBL5054493

SCHEMBL5054493

COc1ccc(CNC(=O)OC2=NOC3(CCCCC3)N2C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.40
KMT2A Q03164 3/20 0.40
FAAH O00519 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL5048788 0.88 MAPT (0.42) LMNASMN1; SMN2MAPTKMT2AFAAH
SCHEMBL1457699 0.80 SMN1; SMN2 (0.46) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL5120134 0.75 SMN1; SMN2 (0.47) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1457183 0.70 HCRTR1 (0.42) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1457630 0.68 SMN1; SMN2 (0.46) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1457254 0.67 LMNA (0.40) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1457068 0.67 MEN1 (0.40) MAPTKMT2AMEN1POLB
SCHEMBL1457755 0.66 PDGFRB (0.43) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL5054621 0.66 EPHX1 (0.39) LMNASMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL1457132 0.65 PDGFRB (0.43) SMN1; SMN2MAPTKMT2AALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO claimed