SCHEMBL4755906

SCHEMBL4755906

O=CCN1CCN(c2nc(-c3ccc(F)cc3F)nc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.56
MAPT P10636 6/20 0.53
GBA1 P04062 2/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
ACHE P22303 1/20 0.47
CHEK2 O96017 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
ABCB1 P08183 1/20 0.46
SMAD3 P84022 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ACP1 P24666 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL4755874 0.89 HIF1A (0.67) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL4090989 0.84 HIF1A (0.76) HIF1AMAPTLMNAALDH1A1TSHR
SCHEMBL4755935 0.84 MAPT (0.56) MAPTGBA1LMNAALDH1A1TSHR
SCHEMBL4085263 0.83 HIF1A (0.79) HIF1AMAPTLMNAALDH1A1TSHR
SCHEMBL4090769 0.82 CYP3A4 (0.67) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL4755891 0.82 LMNA (0.53) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL4753586 0.82 KMT2A (0.56) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL4756735 0.81 KMT2A (0.58) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL4754102 0.81 KMT2A (0.72) HIF1AMAPTGBA1LMNAALDH1A1
SCHEMBL5804844 0.80 CYP1A2 (0.63) HIF1AMAPTGBA1LMNAALDH1A1

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