SCHEMBL4624867

SCHEMBL4624867

C1CCCN(C2CCNCC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
MBTD1 Q05BQ5 3/20 0.43
PREP P48147 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL5514832 0.93 HPGD (0.65) HPGDEPHX1L3MBTL3L3MBTL1RECQL
SCHEMBL3160275 0.93 HPGD (0.65) HPGDEPHX1L3MBTL3L3MBTL1RECQL
SCHEMBL17128329 0.91 HPGD (0.62) HPGDEPHX1L3MBTL3L3MBTL1RECQL
SCHEMBL2165760 0.90 HPGD (0.50) HPGDEPHX1RECQLKDM4EMAPT
SCHEMBL24183612 0.88 HPGD (0.64) HPGDEPHX1L3MBTL3L3MBTL1RECQL
Hydrochloric Acid SCHEMBL3278700 0.88 HPGD (0.49) HPGDEPHX1RECQLKDM4EMAPT
Hydrochloric Acid SCHEMBL3962545 0.88 HPGD (0.49) HPGDEPHX1RECQLKDM4EMAPT
SCHEMBL118661 0.88 HPGD (0.48) HPGDEPHX1L3MBTL1RECQLKDM4E
SCHEMBL994288 0.88 HPGD (0.58) HPGDEPHX1L3MBTL3RECQLKDM4E
SCHEMBL31583968 0.86 HPGD (0.47) HPGDEPHX1RECQLKDM4EMAPT

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-1976842-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-10-08 EP disclosed
WO-2007082731-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-07-26 WO disclosed