SCHEMBL8548647

SCHEMBL8548647

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGER4 P35408 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AADAT Q8N5Z0 2/20 0.49
F2 P00734 2/20 0.48
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.46
HPGD P15428 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
SCHEMBL8543317 0.85 F2 (0.58) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8544795 0.83 FKBP1A (0.59) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8548645 0.82 CTSK (0.46) ALDH1A1CYP3A4CYP2C9PKMPOLB
SCHEMBL8548638 0.82 CTSK (0.46) ALDH1A1CYP3A4CYP2C9PKMPOLB
SCHEMBL8546925 0.81 ALDH1A1 (0.61) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8548845 0.81 F2 (0.56) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8545019 0.80 F2 (0.56) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8544635 0.80 ALDH1A1 (0.64) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8549169 0.80 CYP3A4 (0.64) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8543073 0.80 F2 (0.56) FKBP1AALDH1A1CYP3A4CYP2C9PKM

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