SCHEMBL8544843

SCHEMBL8544843

O=C(CN1CCC[C@H]1C(=O)NCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.59
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
EPHX2 P34913 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
SCHEMBL8546687 0.87 MAPK1 (0.57) MEN1KMT2AFKBP1AALDH1A1CYP3A4
SCHEMBL8544838 0.85 P2RX7 (0.56) P2RX7ALDH1A1L3MBTL1
SCHEMBL8544266 0.84 HPGD (0.54) P2RX7MEN1KMT2AFKBP1AALDH1A1
SCHEMBL8549537 0.80 EPHX2 (0.56) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8544795 0.80 FKBP1A (0.59) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL8545060 0.79 KMT2A (0.46) P2RX7MEN1KMT2AFKBP1AALDH1A1
SCHEMBL8543599 0.78 EPHX1 (0.54) KMT2AFKBP1AALDH1A1L3MBTL1CYP3A4
SCHEMBL8543317 0.77 F2 (0.58) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL7452551 0.76 FKBP1A (0.60) FKBP1AALDH1A1CYP3A4CYP2C9PKM
SCHEMBL2441194 0.76 FKBP1A (0.60) 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