SCHEMBL8535341

SCHEMBL8535341

CC1=CC(C(C)(C)C)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
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
ACHE P22303 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
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2A P28223 1/20 0.30

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
SCHEMBL5702835 0.88 GPR3 (0.34) GPR3HTR2A
SCHEMBL5473851 0.82 GPR3 (0.33) GPR3CHRM2HTR1AADRA2ACHRM1
SCHEMBL8861776 0.80 HTR2A (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
Bicarbonate SCHEMBL29088375 0.74 POLB (0.35) ALDH1A1
Bicarbonate SCHEMBL29088377 0.74 POLB (0.35) ALDH1A1
SCHEMBL8528884 0.72 KMT2A (0.37) ALDH1A1LMNA
SCHEMBL5356718 0.71 GPR3 (0.38) GPR3CHRM2HTR1AADRA2ACHRM1
SCHEMBL29385315 0.71 GPR3 (0.38) GPR3CHRM2HTR1AADRA2ACHRM1
Lithium SCHEMBL9145356 0.70 GPR3 (0.37) GPR3CHRM2HTR1AADRA2ACHRM1
SCHEMBL4651597 0.70 GPR3 (0.41) GPR3CHRM2HTR1AADRA2ACHRM1

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-0920403-A1 PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS Montell Technology Company bv (NL) 1999-06-09 EP disclosed
WO-1998043931-A1 PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-08 WO disclosed