SCHEMBL6598520

SCHEMBL6598520

C[N]N(CCN(C)C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
TAAR1 Q96RJ0 2/20 0.50
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
AOC3 Q16853 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11174747 0.79 TSHR (0.85) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL524817 0.75 CALM1 (0.65) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL18157879 0.75 CALM1 (0.65) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL8221303 0.75 CARM1 (0.67) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL24735547 0.71 TSHR (1.00) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL27766437 0.71 TSHR (1.00) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL5014268 0.71 TSHR (1.00) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL15900 0.71 TSHR (1.00) ALDH1A1TSHRTAAR1HTR2ASLC6A4
SCHEMBL525423 0.71 TSHR (0.56) ALDH1A1TSHRTAAR1HTR2ASLC6A4
Antergan SCHEMBL94485 0.71 TSHR (0.62) ALDH1A1TSHRTAAR1HTR2ASLC6A4

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
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed