SCHEMBL5884013

SCHEMBL5884013

CON=Cc1cccc(OCCN2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD2 P14416 4/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
LTA4H P09960 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.37
OGA O60502 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL5884607 0.91 KMT2A (0.47) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5884502 0.89 DRD2 (0.41) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5884173 0.88 KMT2A (0.43) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5884577 0.87 SLC6A2 (0.43) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5883939 0.86 SMN1; SMN2 (0.45) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5884473 0.86 FFAR1 (0.38) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5884436 0.81 FFAR1 (0.33) KMT2AMEN1DRD2DRD3SMN1; SMN2
SCHEMBL5884768 0.80 FFAR1 (0.39) DRD2DRD3SMN1; SMN2LMNAHTT
SCHEMBL5884269 0.80 DRD2 (0.40) KMT2AMEN1SLC6A2SLC6A4DRD2
SCHEMBL5884418 0.78 SLC6A2 (0.41) KMT2AMEN1SLC6A2SLC6A4DRD2

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
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed