SCHEMBL8544635

SCHEMBL8544635

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
F2 P00734 5/20 0.56
TSHR P16473 1/20 0.52
PTGER4 P35408 2/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
FKBP1A P62942 1/20 0.51
AADAT Q8N5Z0 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
CACNA1G O43497 1/20 0.50

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 0.92 F2 (0.58) ALDH1A1F2PTGER4SMN1; SMN2FKBP1A
SCHEMBL8548845 0.90 F2 (0.56) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8545019 0.89 F2 (0.56) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8549169 0.89 CYP3A4 (0.64) ALDH1A1F2PTGER4SMN1; SMN2FKBP1A
SCHEMBL8543073 0.89 F2 (0.56) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8544624 0.87 PTGER4 (0.57) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8549486 0.86 ALDH1A1 (0.56) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8549094 0.85 F2 (0.52) ALDH1A1F2PTGER4SMN1; SMN2FKBP1A
SCHEMBL8548694 0.85 PTGER4 (0.66) ALDH1A1F2PTGER4HDAC1HDAC2
SCHEMBL8546535 0.85 F2 (0.52) ALDH1A1F2PTGER4HDAC1HDAC2

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