SCHEMBL8548845

SCHEMBL8548845

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.56
HTR1A P08908 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
PTGER4 P35408 2/20 0.53
FKBP1A P62942 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48

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 0.93 F2 (0.58) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8545019 0.90 F2 (0.56) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8543073 0.90 F2 (0.56) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8544635 0.90 ALDH1A1 (0.64) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8549169 0.90 CYP3A4 (0.64) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8544624 0.88 PTGER4 (0.57) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8549486 0.87 ALDH1A1 (0.56) F2PTGER4ALDH1A1CYP3A4CYP2C9
SCHEMBL8548694 0.86 PTGER4 (0.66) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8549094 0.86 F2 (0.52) F2PTGER4FKBP1AALDH1A1CYP3A4
SCHEMBL8546535 0.86 F2 (0.52) F2PTGER4FKBP1AALDH1A1CYP3A4

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 4 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
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed