SCHEMBL7684521

SCHEMBL7684521

OC(CCc1ccccc1)c1cccnc1Oc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
GPR132 Q9UNW8 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
MAPK8 P45983 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
ABCB1 P08183 8/20 0.39
LMNA P02545 1/20 0.39
AKT1 P31749 1/20 0.37

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
SCHEMBL7368640 0.73 ALDH1A1 (0.54) MAPK8
SCHEMBL7374722 0.73 KDM4E (0.44) MAPK14LMNA
SCHEMBL7370850 0.71 MAPK8 (0.43) MAPK14MAPK8
SCHEMBL7367309 0.70 MEN1 (0.63) MAPK8CYP11B1CYP11B2LMNA
SCHEMBL7809649 0.70 ABCB1 (0.54) ABCB1
SCHEMBL858688 0.69 MET (0.52) DRD2AKT1
SCHEMBL7675867 0.69 ALDH1A1 (0.52) MAPK8
SCHEMBL6949036 0.69 MEN1 (0.53) GPR132HTR1ADRD2LMNA
SCHEMBL25876495 0.68 TDP1 (0.51) HTR1AMAPK8LMNA
SCHEMBL7370595 0.68 MAPK8 (0.50) MAPK8LMNA

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-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed