SCHEMBL4640563

SCHEMBL4640563

CS(=O)(=O)c1ccc(C23CCC(CC2)CC3N)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
PTGS2 P35354 9/20 0.36
ENPP2 Q13822 1/20 0.34
PTGS1 P23219 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL5605482 0.75 ENPP2 (0.42) KDM1APTGS2ENPP2PTGS1CNR2
SCHEMBL8198598 0.68 ENPP2 (0.45) KDM1APTGS2ENPP2PTGS1
SCHEMBL1604341 0.64 PNMT (0.52) KDM1APTGS2ENPP2PTGS1SLC6A2
SCHEMBL2376239 0.63 ENPP2 (0.72) PTGS2ENPP2
SCHEMBL15212423 0.63 KDM1A (0.60) KDM1ASLC6A2SLC6A3
SCHEMBL2666156 0.62 ENPP2 (0.44) PTGS2ENPP2PTGS1HSD11B1
SCHEMBL17987982 0.61 KDM1A (1.00) KDM1A
SCHEMBL1604392 0.60 DGAT1 (0.45) PTGS2ENPP2PTGS1CNR2
SCHEMBL15385491 0.60 CYP2C19 (0.49) ENPP2KMT2A
SCHEMBL13784388 0.60 ENPP2 (0.37) PTGS2ENPP2PTGS1HSD11B1KMT2A

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-1951696-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 Amgen Inc. (US) 2008-08-06 EP disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 WO disclosed