SCHEMBL7367298

SCHEMBL7367298

CC(C)(O)C1CCC(CNC(=O)c2cccnc2Oc2cccc(C#N)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MAPK8 P45983 2/20 0.42
CNR2 P34972 2/20 0.41
AURKA O14965 1/20 0.41
LCK P06239 1/20 0.41
MET P08581 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GPR6 P46095 1/20 0.41

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
SCHEMBL7370609 0.88 MEN1 (0.44) MAPK8AURKALCKMETKDR
SCHEMBL5381142 0.88 ADRA2A (0.46) ADRA2AADRA2BADRA2CMAPK8CNR2
SCHEMBL7406794 0.87 MAPK8 (0.51) MAPK8AURKALCKMETKDR
SCHEMBL7371277 0.86 ALDH1A1 (0.48) MAPK8CNR2AURKALCKMET
SCHEMBL7368199 0.85 SLC22A12 (0.41) GAA
SCHEMBL5397078 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAPK8CNR2
SCHEMBL5386832 0.84 ADRA2A (0.46) ADRA2AADRA2BADRA2CMAPK8CNR2
SCHEMBL5386825 0.84 ADRA2A (0.46) ADRA2AADRA2BADRA2CMAPK8CNR2
SCHEMBL7372926 0.83 POLB (0.45) MAPK8AURKALCKMETKDR
SCHEMBL7366994 0.83 CARM1 (0.46) GAA

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
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
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed