SCHEMBL4982772

SCHEMBL4982772

O=C(NC1C2CC3CC(C2)CC1C3)c1csc(-c2ccco2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
THRB P10828 1/20 0.49
CNR2 P34972 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CNR1 P21554 2/20 0.39
NTMT1 Q9BV86 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4971542 0.81 FAAH (0.61) FAAHTHRBCNR2KMT2AMEN1
SCHEMBL4982775 0.80 KDM4E (0.52) FAAHCNR2CNR1KDM4EALDH1A1
SCHEMBL3539497 0.78 THRB (0.52) FAAHTHRBCNR2KMT2AEPHX2
SCHEMBL3535569 0.76 THRB (0.51) FAAHTHRBCNR2KMT2AEPHX2
SCHEMBL3536765 0.76 TLR7 (0.57) FAAHTHRBCNR2NPC1RAB9A
SCHEMBL4983851 0.73 KDM4E (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL17742730 0.72 CYP19A1 (0.44) THRBNPC1RAB9AKMT2AMEN1
SCHEMBL10086314 0.69 HSD11B1 (0.46) NPC1RAB9AKDM4EALDH1A1
SCHEMBL525063 0.69 HSD11B1 (0.46) NPC1RAB9AKDM4EALDH1A1
SCHEMBL22013523 0.69 ADORA3 (0.46) NPC1RAB9AKMT2AMEN1L3MBTL1

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-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed