SCHEMBL4756771

SCHEMBL4756771

O=CCN1CCN(c2nc(-c3ccccc3Cl)nc3cccc(C(F)(F)F)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
MAPK1 P28482 1/20 0.45
ABCB1 P08183 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPT P10636 4/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GBA1 P04062 2/20 0.39
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4753636 0.89 KMT2A (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4753657 0.87 MEN1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4754220 0.85 MEN1 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4090855 0.85 ABCB1 (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4755285 0.83 MAPT (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4753835 0.83 MEN1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4095459 0.82 CNR2 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4754102 0.81 KMT2A (0.72) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4084354 0.80 KMT2A (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4753852 0.79 MAPT (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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