SCHEMBL6206152

SCHEMBL6206152

O=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC(O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
TSHR P16473 1/20 0.42
KMT2A Q03164 3/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
EPHX2 P34913 1/20 0.39
OPRD1 P41143 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
F10 P00742 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
SCHEMBL3785639 0.91 KMT2A (0.44) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL30564450 0.91 KMT2A (0.44) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL3789075 0.91 KMT2A (0.44) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL30951907 0.91 KMT2A (0.44) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL30824716 0.87 TSHR (0.50) TSHRKMT2AFABP5FABP7EPHX2
SCHEMBL8222797 0.87 TSHR (0.50) TSHRKMT2AFABP5FABP7EPHX2
SCHEMBL30555288 0.87 TSHR (0.50) TSHRKMT2AFABP5FABP7EPHX2
SCHEMBL31220527 0.85 TSHR (0.52) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL30276687 0.85 TSHR (0.52) PRMT5WDR77TSHRKMT2AFABP5
SCHEMBL711979 0.85 TSHR (0.52) PRMT5WDR77TSHRKMT2AFABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401453-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-04-06 EP disclosed
EP-1401453-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002092563-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-11-21 WO disclosed