SCHEMBL9035006

SCHEMBL9035006

CCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1.CCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=N)NN)oc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.61
CYSLTR2 Q9NS75 12/20 0.57
CYSLTR1 Q9Y271 12/20 0.57
MAPT P10636 1/20 0.49
NR1H4 Q96RI1 2/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADORA1 P30542 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL9036113 0.96 GPR35 (0.67) GPR35CYSLTR2CYSLTR1MAPTNR1H4
SCHEMBL6960445 0.93 GPR35 (0.70) GPR35CYSLTR2CYSLTR1NR1H4ABCC4
SCHEMBL6951044 0.93 GPR35 (0.70) GPR35CYSLTR2CYSLTR1NR1H4ABCC4
SCHEMBL6961044 0.92 POLB (0.53) GPR35CYSLTR2CYSLTR1MAPTNR1H4
SCHEMBL6951043 0.92 POLB (0.53) GPR35CYSLTR2CYSLTR1MAPTNR1H4
SCHEMBL6961588 0.91 GPR35 (0.73) GPR35CYSLTR2CYSLTR1NR1H4ABCC4
SCHEMBL6956750 0.90 POLB (0.56) GPR35MAPTNR1H4POLB
SCHEMBL6960552 0.88 GPR35 (0.78) GPR35CYSLTR2CYSLTR1NR1H4ABCC4
SCHEMBL6961447 0.86 POLB (0.56) GPR35MAPTPOLB
SCHEMBL6961849 0.84 GPR35 (0.66) GPR35CYSLTR2CYSLTR1MAPT

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-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed