SCHEMBL4754030

SCHEMBL4754030

CCOC(=O)N1CCN(c2nc(CCc3ccccc3C)nc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MEN1 O00255 8/20 0.58
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
ADRB2 P07550 1/20 0.48
GBA1 P04062 1/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
HBB P68871 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45

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
SCHEMBL4097314 0.91 KMT2A (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4089290 0.84 KMT2A (0.58) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4755931 0.82 MEN1 (0.56) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL4753603 0.79 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4103685 0.77 MEN1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL4089697 0.77 MEN1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4096171 0.74 MEN1 (0.67) KMT2AMEN1SMN1; SMN2TSHRPOLB
SCHEMBL4095953 0.74 MEN1 (0.67) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL1084085 0.74 MEN1 (0.67) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL4095930 0.73 MEN1 (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1POLB

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