SCHEMBL4755874

SCHEMBL4755874

O=CCN1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.67
MAPT P10636 6/20 0.62
LMNA P02545 3/20 0.59
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 6/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C19 P33261 1/20 0.49
ABCB1 P08183 1/20 0.49
SMAD3 P84022 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL4755906 0.89 HIF1A (0.56) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4753852 0.88 MAPT (0.50) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4756892 0.87 MAPT (0.61) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4754102 0.86 KMT2A (0.72) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4753639 0.85 MAPT (0.61) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4755285 0.84 MAPT (0.52) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4755891 0.84 LMNA (0.53) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL1083814 0.81 HIF1A (0.97) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL1084817 0.81 HIF1A (0.92) HIF1AMAPTLMNAALDH1A1KMT2A
SCHEMBL4755935 0.81 MAPT (0.56) MAPTLMNAALDH1A1KMT2ATSHR

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