SCHEMBL27337708

SCHEMBL27337708

[CH2]C(C)Nc1cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
TLR8 Q9NR97 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR7 Q9NYK1 4/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RHOC P08134 1/20 0.30
RHOA P61586 1/20 0.30
PDE2A O00408 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 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
SCHEMBL10443547 0.86 THRB (0.34) HTR2ASLC6A4KCNH2TLR8TLR7
SCHEMBL9332364 0.85 HTR2A (0.36) HTR2ASLC6A4KCNH2TLR8CYP1A2
SCHEMBL9331754 0.80 NR4A1 (0.44) TLR8CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8938797 0.77 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL9334657 0.77 CYP3A4 (0.37) HTR2ASLC6A4KCNH2TLR8CYP1A2
SCHEMBL8938831 0.76 MEN1 (0.38) TLR8SMN1; SMN2TLR7L3MBTL1RHOC
SCHEMBL9332068 0.75 TLR8 (0.44) TLR8CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL9582221 0.74 MAOB (0.41) TLR8CYP3A4ALDH1A1SMN1; SMN2TLR7
SCHEMBL9332004 0.72 TDP1 (0.45) CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4493478 0.72 NPBWR1 (0.46) HTR2ASLC6A4KCNH2TLR8TLR7

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-1040367-A Heterogeneous ring compound ICI PLC (GB) 1990-03-14 CN disclosed