SCHEMBL8718074

SCHEMBL8718074

O=C(O)C1Cc2ccccc2CN1CCOC1c2ccccc2CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.40
POLB P06746 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHEK1 O14757 1/20 0.40
JAK2 O60674 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8715934 0.85 HDAC3 (0.37) ACE
SCHEMBL8718701 0.80 SMN1; SMN2 (0.46)
SCHEMBL12191655 0.75 ACE (0.51) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL7536224 0.74 GRM2 (0.51) ACE
SCHEMBL7536221 0.74 GRM2 (0.51) ACE
SCHEMBL8717944 0.74 LTA4H (0.44) ACE
SCHEMBL8718619 0.73 LTA4H (0.52) L3MBTL1
SCHEMBL5500239 0.73 HTR2A (0.47) ACEALDH1A1LMNAKDM4E
SCHEMBL7536950 0.73 ACE (0.49) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL7536956 0.73 ACE (0.49) ACEPOLBTDP1L3MBTL1CHEK1

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-0820442-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP claimed
WO-1996031474-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
EP-0820442-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031474-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed