SCHEMBL4056536

SCHEMBL4056536

CCOC(=O)c1noc(C)c1C(=O)c1ccc(OCCCC2CCCNC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPY1R P25929 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK2 O96017 1/20 0.35
BMP1 P13497 1/20 0.35
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1375239 0.76 HRH3 (0.64) ALDH1A1KCNH2HRH3BCHEACHE
SCHEMBL5187226 0.76 MAPT (0.54) ACP1ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL4686979 0.74 KMT2A (0.52) ACP1ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL5178131 0.74 ACP1 (0.46) ACP1NPY1RHRH3CHEK2BCHE
SCHEMBL3032322 0.72 ALDH1A1 (0.53) ALDH1A1HTTKMT2AATM
SCHEMBL6187060 0.71 KMT2A (0.46) ACP1KMT2ACHEK2
SCHEMBL5562096 0.71 ACP1 (0.50) ACP1HRH3KMT2ACHEK2
SCHEMBL11717409 0.71 CHEK2 (0.42) ACP1NPY1RKMT2ACHEK2
SCHEMBL5566839 0.71 MAP2K1 (0.42) ACP1CHEK2BCHEMAOAACHE
SCHEMBL9219032 0.71 ITGB3 (0.54) L3MBTL1KCNH2HRH3

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed