SCHEMBL7565830

SCHEMBL7565830

CN(C)CCN(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
DRD1 P21728 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
ADRA1A P35348 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KCNH2 Q12809 2/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
OPRK1 P41145 1/20 0.53
KDM4E B2RXH2 4/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.49
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 4/20 0.47

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
Antergan SCHEMBL94485 0.88 TSHR (0.62) CHRM2ADRA2ADRD1SLC6A2SLC6A4
SCHEMBL2103973 0.84 CYP2C19 (0.59) ADRA2AADRA1ASLC6A3KCNH2ADRA2C
SCHEMBL8015978 0.81 TSHR (0.75) KDM4ELMNAMAPK1TSHRCYP2C19
SCHEMBL6555348 0.80 POLB (0.48) ADRA2AADRA1ASLC6A3KCNH2ADRA2C
SCHEMBL8009515 0.80 NR1H2 (0.51) KCNH2OPRK1TSHRCYP2C19OPRM1
SCHEMBL6555897 0.78 TSHR (0.47) KDM4ELMNAMAPK1SMN1; SMN2TSHR
SCHEMBL11323269 0.78 CNR2 (0.58) CHRM2ADRA2ADRD1SLC6A2SLC6A4
SCHEMBL28357225 0.77 TSHR (0.48) ADRA2AADRA1ASLC6A3KCNH2ADRA2C
SCHEMBL6553725 0.77 TSHR (0.46) KDM4ELMNAMAPK1SMN1; SMN2TSHR
SCHEMBL863542 0.77 TSHR (0.50) SLC6A2SLC6A4ADRA1ASLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 WO disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed