SCHEMBL4753852

SCHEMBL4753852

O=CCN1CCN(c2nc(-c3ccccc3F)nc3cccc(F)c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HIF1A Q16665 2/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP2D6 P10635 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C19 P33261 2/20 0.36
DRD2 P14416 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
SCHEMBL4755285 0.92 MAPT (0.52) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4753657 0.92 MEN1 (0.52) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4755874 0.88 HIF1A (0.67) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4753636 0.82 KMT2A (0.55) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4091224 0.82 HIF1A (0.71) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4756892 0.80 MAPT (0.61) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4754220 0.79 MEN1 (0.54) MAPTLMNAALDH1A1KMT2ATSHR
SCHEMBL4099593 0.79 HIF1A (0.51) MAPTHIF1ALMNAALDH1A1KMT2A
SCHEMBL4756771 0.79 MEN1 (0.49) MAPTALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL4753639 0.78 MAPT (0.61) MAPTHIF1ALMNAALDH1A1KMT2A

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-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed