SCHEMBL9145348

SCHEMBL9145348

CC1=CC(C)c2ccccc21.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.37
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.31
PBRM1 Q86U86 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 2/20 0.30
LMNA P02545 2/20 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
SCHEMBL5356718 0.98 GPR3 (0.38) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL29385315 0.98 GPR3 (0.38) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL9146475 0.95 GPR3 (0.37) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL9146467 0.95 GPR3 (0.37) GPR3HTR2APOLBPBRM1TNKS2
Lithium SCHEMBL9145356 0.95 GPR3 (0.37) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL19117487 0.73 GPR3 (0.37) GPR3HTR2APOLBCHRM2HTR1A
SCHEMBL4651597 0.73 GPR3 (0.41) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL8028884 0.73 GPR3 (0.37) GPR3HTR2APOLBPBRM1TNKS2
SCHEMBL10361233 0.73 GPR3 (0.37) GPR3HTR2APOLBCHRM2HTR1A
SCHEMBL28782651 0.73 GPR3 (0.37) GPR3HTR2APOLBCHRM2HTR1A

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
US-5391660-A Narrow molecular weight distribution by addition polymerizing a olefin or mixtures in a catalysts mixtures having metal compounds, halometal compound and alumoxanes NIPPON OIL COMPANY, LIMITED (JP) 1995-02-21 US disclosed