SCHEMBL8225985

SCHEMBL8225985

O=C1CCCN1CCNCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
DPP7 Q9UHL4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.52
CD274 Q9NZQ7 2/20 0.50
MEN1 O00255 3/20 0.48
ACHE P22303 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL5099714 0.92 TSHR (0.53) TSHRDPP7L3MBTL1KMT2ACD274
SCHEMBL14068417 0.89 CD274 (0.59) TSHRDPP7L3MBTL1KMT2ACD274
SCHEMBL5096370 0.88 TSHR (0.49) TSHRDPP7L3MBTL1KMT2ACD274
SCHEMBL5105109 0.88 MEN1 (0.67) TSHRDPP7KMT2ACD274MEN1
SCHEMBL5105365 0.86 CD274 (0.57) TSHRKMT2ACD274MEN1
SCHEMBL9461580 0.84 L3MBTL1 (0.55) TSHRDPP7L3MBTL1KMT2ACD274
SCHEMBL5099100 0.83 CD274 (0.65) TSHRKMT2ACD274MEN1
SCHEMBL5105141 0.83 CD274 (0.54) TSHRKMT2ACD274MEN1
SCHEMBL5096216 0.81 DPP7 (0.53) TSHRDPP7L3MBTL1KMT2ACD274
SCHEMBL5105512 0.80 MEN1 (0.77) DPP7KMT2ACD274MEN1

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
WO-2007140982-A1 SUBSTITUTED BENZOXAZOLES BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed