SCHEMBL5044758

SCHEMBL5044758

CCCCCCCCCCCCOc1ccc(CC([NH])c2ccccc2C(F)(F)F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC2A1 P11166 2/20 0.41
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
CYP2C9 P11712 1/20 0.38
S1PR1 P21453 3/20 0.37
PPARG P37231 5/20 0.36
PPARA Q07869 3/20 0.36
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
PLA2G2D Q9UNK4 1/20 0.34

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
SCHEMBL5047584 0.83 MEN1 (0.42) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL5049002 0.77 LTA4H (0.43) THRATHRB
SCHEMBL1854704 0.76 SLC2A1 (0.57) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL6717527 0.75 SLC2A1 (0.42) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL6717531 0.75 ACHE (0.44) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL1856357 0.74 THRA (0.40) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL27619411 0.74 SLC2A1 (0.43) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL23271677 0.72 CNR1 (0.61) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL29802382 0.72 CNR1 (0.61) MEN1HTTKMT2ASLC2A1CNR1
SCHEMBL23271675 0.72 CNR1 (0.61) MEN1HTTKMT2ASLC2A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed