SCHEMBL7250569

SCHEMBL7250569

CN(CC(=O)C(C)(C)C)C1C2CCC1CN(CC(O)COc1ccc(C#N)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL7250291 0.85 HRH2 (0.43) ALDH1A1MAPT
SCHEMBL7248197 0.85 KCNH2 (0.49) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7251587 0.85 ALDH1A1 (0.47) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7249987 0.84 L3MBTL1 (0.47) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7244717 0.83 MEN1 (0.51) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7251528 0.83 ALDH1A1 (0.49) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL6094907 0.83 KCNH2 (0.52) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL6094912 0.83 KCNH2 (0.52) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7246413 0.83 MEN1 (0.47) MEN1KMT2AKCNH2ALDH1A1KDM4E
SCHEMBL7242512 0.82 KCNH2 (0.51) MEN1KMT2AKCNH2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed