SCHEMBL8549094

SCHEMBL8549094

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.52
PTGER4 P35408 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 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
SCHEMBL8543317 0.88 F2 (0.58) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8548845 0.86 F2 (0.56) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8543073 0.85 F2 (0.56) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8544635 0.85 ALDH1A1 (0.64) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8549169 0.85 CYP3A4 (0.64) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8545019 0.85 F2 (0.56) F2PTGER4PKMFKBP1AALDH1A1
SCHEMBL8549093 0.84 POLB (0.48) KMT2AALDH1A1SMN1; SMN2MCHR1HTT
SCHEMBL8549085 0.84 POLB (0.48) KMT2AALDH1A1SMN1; SMN2MCHR1HTT
SCHEMBL8549106 0.84 FKBP1A (0.48) F2PTGER4PKMKMT2AFKBP1A
SCHEMBL8544624 0.83 PTGER4 (0.57) F2PTGER4PKMFKBP1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed