SCHEMBL30360122

SCHEMBL30360122

ClP(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
HTR2A P28223 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A3 O75751 1/20 0.41
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
S100A4 P26447 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL2882645 0.84 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL6544498 0.74 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL29130722 0.74 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL14476649 0.70 GPR3 (0.38) GPR3HTR2AACHEBCHEHDAC3
SCHEMBL31266545 0.69 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL5087001 0.69 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL5343918 0.69 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL14254385 0.69 BCHE (0.47) GPR3HTR2AACHEBCHECYP1A2
SCHEMBL5573163 0.69 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3ACHE
SCHEMBL6544336 0.69 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3ACHE

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
CN-113302213-B Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2023-04-14 CN disclosed