SCHEMBL20106995

SCHEMBL20106995

CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC1CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
GPR119 Q8TDV5 7/20 0.46
EPHX2 P34913 2/20 0.46
NAMPT P43490 2/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL20395949 0.85 EPHX2 (0.48) EPHX1GPR119EPHX2NAMPTHPGD
SCHEMBL20106807 0.85 EHMT2 (0.44) EPHX1EPHX2HPGDUSP2SMN1; SMN2
SCHEMBL743999 0.83 EPHX1 (0.65) EPHX1GPR119EPHX2HPGDUSP2
SCHEMBL20733922 0.83 EPHX1 (0.48) EPHX1GPR119EPHX2NAMPTHPGD
SCHEMBL22305158 0.80 USP2 (0.49) EPHX1GPR119EPHX2NAMPTHPGD
SCHEMBL1474868 0.80 USP2 (0.49) EPHX1GPR119EPHX2NAMPTHPGD
SCHEMBL24811332 0.80 EPHX1 (0.43) EPHX1EPHX2HPGDUSP2SMN1; SMN2
SCHEMBL29589460 0.80 EPHX1 (0.51) EPHX1EPHX2HPGDUSP2SMN1; SMN2
SCHEMBL29589383 0.80 EPHX1 (0.48) EPHX1EPHX2HPGDUSP2SMN1; SMN2
SCHEMBL16969327 0.79 USP2 (0.47) EPHX1GPR119EPHX2NAMPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532459-B1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2023-08-02 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
WO-2018081343-A1 LSD1 INHIBITORS AND MEDICAL USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed