SCHEMBL9535862

SCHEMBL9535862

COC(=O)OC1CCCN1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 1/20 0.39
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 2/20 0.36
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL9537518 0.92 ALDH1A1 (0.36) ALDH1A1HPGDOPRM1EPHX2HRH3
SCHEMBL9535584 0.90 SMN1; SMN2 (0.38) DPP4KMT2A
SCHEMBL9536573 0.85 MEN1 (0.43) HPGDOPRM1EPHX2MEN1KMT2A
SCHEMBL9535279 0.82 PLA2G1B (0.36) ALDH1A1
SCHEMBL9536801 0.81 POLB (0.39) OPRM1
SCHEMBL9727314 0.81 DPP4 (0.49) ALDH1A1HPGDOPRM1CYP3A4CYP2D6
SCHEMBL9538045 0.79 DRD1 (0.48) ALDH1A1HTTDPP4MEN1KMT2A
SCHEMBL9538148 0.78 KMT2A (0.42) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL9534996 0.78 OPRK1 (0.40) HPGDOPRM1
SCHEMBL9535638 0.77 TACR1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed