SCHEMBL6841214

SCHEMBL6841214

CNC(C)c1ccccc1C(C)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.44
HTR2A P28223 5/20 0.44
KCNH2 Q12809 3/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 1/20 0.37
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
GPR139 Q6DWJ6 2/20 0.36
PDE1B Q01064 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
COASY Q13057 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6841274 0.81 SLC6A4 (0.55) SLC6A4HTR2AKCNH2ADRB2SLC6A2
SCHEMBL8246636 0.81 COASY (0.44) SLC6A4ADRB2ADRB1ADRB3SLC6A2
SCHEMBL178548 0.81 COASY (0.44) SLC6A4ADRB2ADRB1ADRB3SLC6A2
SCHEMBL6841228 0.81 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6841275 0.81 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6837048 0.81 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6842074 0.81 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6842018 0.81 HTR2A (0.44) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6842242 0.81 ALDH1A1 (0.42) SLC6A4HTR2AKCNH2SLC6A2ALDH1A1
SCHEMBL6841425 0.81 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US claimed
US-6759435-B1 SUCH AS METHYL-(1-(2-(1-PHENYL-ETHYL)-PHENYL)-ETHYL)-AMINE; SEROTONIN REUPTAKE INHIBITORS A.P. Group Inc. 2004-07-06 US disclosed