SCHEMBL24592136

SCHEMBL24592136

CCOCCCCCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.68
KCNH2 Q12809 6/20 0.45
BRD4 O60885 5/20 0.41
HTR2A P28223 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
GRM2 Q14416 3/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL24592263 0.89 AR (0.65) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL3065313 0.88 AR (0.68) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL3068954 0.87 AR (0.72) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL31247561 0.87 AR (0.69) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL24592187 0.87 AR (0.69) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL29767393 0.87 AR (0.64) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL24592317 0.87 AR (0.69) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL24592117 0.86 AR (0.81) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL24592104 0.85 AR (0.69) ARKCNH2BRD4HTR2AHTR1A
SCHEMBL3074480 0.84 AR (0.68) ARKCNH2BRD4HTR2AHTR1A

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-4023649-A1 ANDROGEN RECEPTOR BINDING BIFUNCTIONAL MOLECULES Industrial Technology Research Institute (TW) 2022-07-06 EP disclosed