SCHEMBL7863731

SCHEMBL7863731

CC(C)(C)C1=CC([Zr])c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.38
HTR2A P28223 2/20 0.33
POLB P06746 3/20 0.32
ACHE P22303 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A3 O75751 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7863681 0.90 POLB (0.34) GPR3POLB
SCHEMBL7861457 0.86 POLB (0.32) POLB
SCHEMBL9550604 0.78 GPR3 (0.34) GPR3HTR2A
SCHEMBL5702797 0.76 GPR3 (0.33) GPR3
SCHEMBL29732984 0.76 KMT2A (0.33) GPR3POLBACHEKMT2ASLC22A2
SCHEMBL5473851 0.76 GPR3 (0.33) GPR3ACHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL7609107 0.74 GPR3 (0.36) GPR3
SCHEMBL6401816 0.74 HTR6 (0.33) GPR3HTR2AACHECHRM2HTR1A
Hydrochloric Acid SCHEMBL3192369 0.74 GPR3 (0.32) GPR3
Hydrochloric Acid SCHEMBL28436054 0.74 GPR3 (0.32) GPR3

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-1141034-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP Chemicals Limited (GB) 2001-10-10 EP disclosed
WO-2000020462-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEMICALS LIMITED (GB) 2000-04-13 WO disclosed