SCHEMBL8495308

SCHEMBL8495308

CC(C(=O)C(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.50
EPHX1 P07099 1/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 7/20 0.48
DPP4 P27487 2/20 0.48
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
EED O75530 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
SCHEMBL1422213 0.89 HPGD (0.51) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL7493781 0.89 HPGD (0.51) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL6011839 0.87 HPGD (0.50) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL4546601 0.86 HPGD (0.55) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL6974258 0.86 HPGD (0.55) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL6011841 0.86 HPGD (0.49) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL3821259 0.86 EPHX1 (0.54) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL387237 0.85 HPGD (0.54) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL5341723 0.85 HPGD (0.54) HPGDRECQLEPHX1MAPTNPC1
SCHEMBL470530 0.85 HPGD (0.54) HPGDRECQLEPHX1MAPTNPC1

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-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed