SCHEMBL4771965

SCHEMBL4771965

CCCCCOc1ccccc1CC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11738781 0.98 MAPT (0.51) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL9260435 0.98 MAPT (0.51) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL4010761 0.90 L3MBTL1 (0.51) MAPTMEN1LMNASLC6A3KMT2A
SCHEMBL4706175 0.88 L3MBTL1 (0.50) MAPTMEN1LMNASLC6A3KMT2A
SCHEMBL28783874 0.85 KDM4E (0.60) MAPTLMNAHTR2BKDM4ECYP1A2
SCHEMBL28158323 0.83 KDM4E (0.58) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL9264764 0.83 MAPT (0.49) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL16933728 0.82 L3MBTL1 (0.65) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL16933764 0.82 L3MBTL1 (0.65) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL9992785 0.82 L3MBTL1 (0.65) MAPTMEN1NR1I2LMNACHRM2

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-1926727-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer HealthCare AG (DE) 2008-06-04 EP disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed