SCHEMBL7079913

SCHEMBL7079913

N#Cc1cc(=O)c2cccc(NC(O)CCCCCCCCc3ccccc3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.46
GPR35 Q9HC97 5/20 0.41
CES1 P23141 1/20 0.39
CYSLTR2 Q9NS75 8/20 0.38
CYSLTR1 Q9Y271 8/20 0.38
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
AR P10275 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL6955419 0.81 GPR35 (0.53) FAAHGPR35CES1CYSLTR2CYSLTR1
SCHEMBL7889278 0.81 GPR35 (0.53) FAAHGPR35CES1CYSLTR2CYSLTR1
SCHEMBL6953595 0.77 GPR35 (0.56) GPR35
SCHEMBL6962442 0.75 CYSLTR2 (0.67) GPR35CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL6953970 0.71 GPR35 (0.68) GPR35
SCHEMBL6955833 0.67 GPR35 (0.52) GPR35CYSLTR2CYSLTR1
SCHEMBL7628220 0.66 CYSLTR2 (0.47) CYSLTR2CYSLTR1ABCC4ABCB11PGR
SCHEMBL6961653 0.66 MAOB (0.46) FAAHCES1
SCHEMBL6957631 0.66 MAOB (0.46) FAAHCES1
SCHEMBL7897848 0.63 GPR35 (0.59) GPR35CYSLTR2CYSLTR1ABCC4ABCB11

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
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed