SCHEMBL4590250

SCHEMBL4590250

CCS(=O)(=O)N1CCC(c2c[nH]c3ccc(OCc4cccc(OC(F)F)c4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
HTR6 P50406 2/20 0.41
LTA4H P09960 2/20 0.41
PLA2G2A P14555 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
HTR1A P08908 6/20 0.40
SLC6A4 P31645 6/20 0.40
CCR2 P41597 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL4589602 0.84 IKBKB (0.59) IKBKBCHUK
SCHEMBL5032034 0.75 IKBKB (0.58) IKBKBCHUKMMP14
SCHEMBL5363538 0.74 CYP1A2 (0.60) HTR6HTR1AHTR1DHTR1BOPRM1
SCHEMBL5705170 0.74 KDM4E (0.62) PRMT5LTA4HPLA2G2AHTR1ASLC6A4
SCHEMBL18324811 0.72 KCNH2 (0.53) PRMT5OPRM1OPRK1OPRL1
SCHEMBL5038182 0.71 IKBKB (0.61) IKBKBCHUK
SCHEMBL4589932 0.71 IKBKB (0.71) PRMT5IKBKBCHUK
SCHEMBL26863407 0.70 TRPM8 (0.56) LTA4HPLA2G2AHTR1ASLC6A4HTR1D
SCHEMBL4590164 0.69 IKBKB (0.59) HTR6IKBKBCHUKMMP13MMP14
Hydrochloric Acid SCHEMBL9031803 0.69 OPRM1 (0.55) HTR6LTA4HPLA2G2AHTR1ASLC6A4

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-1948187-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2007062318-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed