SCHEMBL8264995

SCHEMBL8264995

C=C(NC(c1ccccc1)C1(N(C)Cc2ccccc2)CCCC1)c1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
SLC2A1 P11166 1/20 0.34
MAPT P10636 5/20 0.34
TACR3 P29371 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
FABP4 P15090 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TACR1 P25103 2/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL4363718 0.90 TACR3 (0.43) ADORA2AADORA1SLC2A1TACR3
SCHEMBL8265727 0.87 ADORA2A (0.40) ADORA2AADORA1TLR7SLC2A1MAPT
SCHEMBL4357027 0.79 TACR3 (0.46) ADORA2AADORA1SLC2A1TACR3TDP1
SCHEMBL4361680 0.78 TACR3 (0.45) ADORA2AADORA1SLC2A1TACR3TDP1
SCHEMBL4358870 0.76 TACR3 (0.43) ADORA2AADORA1SLC2A1MAPTTACR3
SCHEMBL3038770 0.73 TACR3 (0.46) TLR7SLC2A1MAPTTACR3MEN1
SCHEMBL4351001 0.71 TACR3 (0.38) SLC2A1MAPTTACR3MEN1KMT2A
SCHEMBL3030178 0.71 SLC2A1 (0.43) TLR7SLC2A1MAPTTACR3SMN1; SMN2
SCHEMBL8263391 0.71 GAA (0.49) ADORA2AADORA1SLC2A1TACR3KDM4E
SCHEMBL4352784 0.70 TACR3 (0.42) ADORA2AADORA1SLC2A1MAPTTACR3

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-2006067430-A1 2-AMINO-1-PHENYLETHYLCARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed