SCHEMBL4785409

SCHEMBL4785409

O=C(c1cccnc1)N(Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
HTR1A P08908 9/20 0.47
DRD4 P21917 7/20 0.47
HTR2A P28223 7/20 0.47
DRD3 P35462 7/20 0.47
HTR7 P34969 6/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC6A4 P31645 2/20 0.47
DRD2 P14416 7/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
ADRA2C P18825 1/20 0.43
HRH1 P35367 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKAA2 P54646 1/20 0.43
HTR2C P28335 3/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL4735555 0.92 TSHR (0.53) TSHRGAADRD4DRD3KDM4E
SCHEMBL4736483 0.91 TSHR (0.47) TSHRGAAHTR1ADRD4HTR2A
SCHEMBL4737659 0.90 KDM4E (0.47) TSHRHTR1ADRD4HTR2ADRD3
SCHEMBL4737126 0.89 TSHR (0.48) TSHRGAAHTR1ADRD4HTR2A
SCHEMBL4739086 0.88 TSHR (0.52) TSHRGAAHTR1ADRD4HTR2A
SCHEMBL4738239 0.88 TSHR (0.49) TSHRGAAHTR1ADRD4HTR2A
SCHEMBL4736584 0.86 TSHR (0.51) TSHRGAAHTR1ADRD4HTR2A
SCHEMBL4738789 0.86 OPRM1 (0.49) TSHRHTR1ADRD4HTR2ADRD3
SCHEMBL4733936 0.86 OPRM1 (0.49) TSHRHTR1ADRD4HTR2ADRD3
SCHEMBL4735150 0.86 TSHR (0.51) TSHRGAAKDM4EALDH1A1SMN1; SMN2

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed