SCHEMBL4735240

SCHEMBL4735240

O=C(c1ccnnc1)N(Cc1csc(N2CCN(c3ncccn3)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CETP P11597 1/20 0.41
SLC6A7 Q99884 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR2 P25025 1/20 0.39
HSP90AB1 P08238 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL4738359 0.91 LMNA (0.41) KDM4EALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL4737963 0.90 MEN1 (0.39) KDM4EALDH1A1TSHRCETPSLC6A7
SCHEMBL4739654 0.89 LMNA (0.38) ALDH1A1TSHRL3MBTL1HTTSMN1; SMN2
SCHEMBL4739647 0.88 AR (0.43) KDM4EALDH1A1L3MBTL1HTTGAA
SCHEMBL4738694 0.86 ACHE (0.43) KDM4EALDH1A1TSHRDRD2DRD4
SCHEMBL4737079 0.86 MEN1 (0.38) KDM4EALDH1A1TSHRHTTCXCR2
SCHEMBL4734180 0.85 KDM4E (0.41) KDM4EALDH1A1TSHRMAPK14
SCHEMBL4735114 0.85 SMN1; SMN2 (0.41) KDM4EALDH1A1TSHRL3MBTL1HTT
SCHEMBL4737001 0.85 CYP3A4 (0.37) ALDH1A1TSHRHTTSMN1; SMN2HTR1A
SCHEMBL3061194 0.82 KDM4E (0.47) KDM4EALDH1A1TSHRL3MBTL1CETP

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