SCHEMBL8148579

SCHEMBL8148579

O=C(O)CC1CCN(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
POLB P06746 1/20 0.51
NAMPT P43490 2/20 0.49
FAAH O00519 2/20 0.49
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
EPHX2 P34913 1/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9238946 0.85 POLB (0.53) ALOX5POLBNAMPTFAAHEPHX2
SCHEMBL8134080 0.81 POLB (0.53) POLBNAMPTFAAHCA12CA2
Trifluoroacetic Acid SCHEMBL7376456 0.75 GLA (0.48) POLBNAMPTFAAHCA12CA2
SCHEMBL12005896 0.74 ALDH1A1 (0.57) POLBMAPTGLAMEN1KMT2A
SCHEMBL3697173 0.74 NAMPT (0.70) NAMPT
SCHEMBL9234923 0.73 TSHR (0.48) ALOX5POLBNAMPTFAAHEPHX2
SCHEMBL533096 0.72 ALDH1A1 (0.62) NAMPTME3MAPTMEN1KMT2A
SCHEMBL6271335 0.71 POLB (0.66) POLBNAMPTFAAHCA12CA2
SCHEMBL7371765 0.71 ME3 (0.54) POLBME3MAPTMEN1KMT2A
SCHEMBL9237266 0.71 FAAH (0.72) POLBNAMPTFAAHCA12CA2

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed