SCHEMBL4786222

SCHEMBL4786222

O=C(c1ccsc1)N(Cc1ccc(N2CCN(c3ncccn3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CETP P11597 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A7 Q99884 1/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
DRD4 P21917 4/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
ADRA2C P18825 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL4734158 0.93 DRD4 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2DRD2
SCHEMBL4734783 0.90 OPRM1 (0.40) KDM4EALDH1A1TSHRSMN1; SMN2DRD2
SCHEMBL4734903 0.89 KDM4E (0.41) KDM4EALDH1A1TSHRCETPL3MBTL1
SCHEMBL4737955 0.89 OPRM1 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2DRD2
SCHEMBL4736796 0.87 OPRM1 (0.49) KDM4EALDH1A1TSHRL3MBTL1DRD2
SCHEMBL4739217 0.85 MEN1 (0.42) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL4738789 0.85 OPRM1 (0.49) KDM4EALDH1A1TSHRDRD2DRD3
SCHEMBL4736584 0.85 TSHR (0.51) KDM4EALDH1A1TSHRCETPHTT
SCHEMBL4733795 0.85 KDM4E (0.51) KDM4EALDH1A1TSHRCETPHTT
SCHEMBL4738192 0.84 HRH3 (0.42) TSHRMEN1KMT2AOPRM1OPRK1

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