SCHEMBL7214170

SCHEMBL7214170

[NH]C[C@@H](N)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.44
DPP4 P27487 11/20 0.43
DPP7 Q9UHL4 3/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 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
SCHEMBL7216586 0.82 TAAR1 (0.54) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL4674867 0.82 TAAR1 (0.54) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL7955916 0.80 DPP4 (0.47) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL3131950 0.80 DPP4 (0.47) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL5225287 0.80 DPP4 (0.47) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL17045268 0.79 TAAR1 (0.50) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL3674139 0.79 TAAR1 (0.54) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL13995122 0.77 AOC3 (0.44) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL1467599 0.77 TAAR1 (0.52) TAAR1IDO1DPP4DPP7CYP3A4
SCHEMBL7211801 0.76 TAAR1 (0.45) TAAR1DPP4DPP7CYP3A4CYP2D6

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-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed