SCHEMBL7373261

SCHEMBL7373261

COc1ccc(CN)cc1OCC(=O)N1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
FAAH O00519 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7374208 0.84 MEN1 (0.47) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL7370428 0.84 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL7370205 0.80 CCR1 (0.56) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL7369950 0.80 KDM4E (0.55) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL7374593 0.79 MEN1 (0.41) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL8545193 0.79 KDM4E (0.54) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL7370866 0.79 KDM4E (0.58) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL8545712 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9LMNAGAA
SCHEMBL7374207 0.78 FAAH (0.42) ALDH1A1CYP3A4CYP2C9FAAHMEN1
SCHEMBL7366950 0.77 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2AGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP 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