SCHEMBL6841574

SCHEMBL6841574

CNC(C)c1ccccc1C(C)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
SLC6A4 P31645 4/20 0.38
HTR2A P28223 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CNR1 P21554 2/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 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
SCHEMBL6841228 0.85 HTR2A (0.44) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6837048 0.85 HTR2A (0.44) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6841275 0.85 HTR2A (0.44) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6842074 0.85 HTR2A (0.44) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6842018 0.85 HTR2A (0.44) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6841274 0.82 SLC6A4 (0.55) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6842242 0.81 ALDH1A1 (0.42) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL6843796 0.79 CYP2D6 (0.54) SLC6A4HTR2ALMNAALDH1A1KCNH2
SCHEMBL6836923 0.78 CASR (0.41) SMN1; SMN2SLC6A4HTR2ALMNAALDH1A1
SCHEMBL10087237 0.76 ALDH1A1 (0.50) SMN1; SMN2LMNAALDH1A1CYP1A2KDM4E

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