SCHEMBL8744967

SCHEMBL8744967

SC1c2[c]cccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
HTR2A P28223 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL3701444 0.81 HTR2A (0.40) GPR3HTR2ACYP1A2CYP2D6HDAC3
SCHEMBL4634572 0.78 GPR3 (0.38) GPR3HTR2A
SCHEMBL7840975 0.78 KMT2A (0.35) GPR3HTR2ACYP2D6HDAC3HDAC4
SCHEMBL6424856 0.78 HTR2A (0.38) GPR3HTR2A
SCHEMBL14744180 0.75 HTR2A (0.39) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL215606 0.75 LMNA (0.39) GPR3HTR2ACYP1A2CYP19A1
SCHEMBL1107108 0.74 GPR3 (0.48) GPR3HTR2ACYP1A2CYP2D6CYP19A1
SCHEMBL6306483 0.73 HTR2A (0.42) GPR3HTR2A
SCHEMBL6310076 0.73 POLB (0.35) GPR3HTR2ACYP1A2
SCHEMBL9422237 0.73 GPR3 (0.34) GPR3HTR2A

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-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed