SCHEMBL7370150

SCHEMBL7370150

COc1ccc(CN(OC=C=O)C(=O)OC(C)(C)C)cc1N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
BCHE P06276 4/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL7368917 0.80 KDM4E (0.42) ACHEKMT2A
SCHEMBL7367424 0.79 HTR1A (0.42) SLC6A4
SCHEMBL7373473 0.77 HTR7 (0.45) MEN1KMT2APOLB
SCHEMBL31588612 0.68 MEN1 (0.61) MEN1KMT2A
SCHEMBL8668842 0.65 HTR1A (0.71) MEN1KMT2A
SCHEMBL7370826 0.65 HTR7 (0.43) MEN1KMT2APOLB
SCHEMBL15534883 0.65 MEN1 (0.46) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL7242753 0.65 SLC6A2 (0.58) SLC6A2SLC6A4MEN1KMT2ACYP2C9
SCHEMBL12064635 0.64 SLC6A2 (0.67) SLC6A2SLC6A4MEN1KMT2ACYP2C9
SCHEMBL3923737 0.64 KDM4E (0.64) MEN1KMT2ACYP2C9CYP2C19MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed