SCHEMBL8775843

SCHEMBL8775843

O=Cc1cccc(CC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNA5 P22460 7/20 0.45
KCNH2 Q12809 3/20 0.45
TBXAS1 P24557 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL8775839 0.77 KCNA5 (0.48) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
SCHEMBL31570747 0.76 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
SCHEMBL884658 0.76 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
SCHEMBL27662708 0.76 CFTR (0.43) SLC6A2SLC6A4SLC6A3KCNA5CFTR
SCHEMBL2063857 0.76 KCNA5 (0.47) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
SCHEMBL10690020 0.75 CHRNA7 (0.49) TBXAS1CYP1A2CYP2D6
SCHEMBL884888 0.75 CYP1A2 (0.54) SLC6A2SLC6A4SLC6A3KCNA5KCNH2
SCHEMBL31189332 0.74 RAB9A (0.40) TBXAS1CYP3A4SMN1; SMN2LMNA
SCHEMBL8775894 0.74 SLC7A5 (0.55) KCNA5CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL8775926 0.73 NR3C2 (0.44) SLC6A2SLC6A4SLC6A3KCNA5KCNH2

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed