SCHEMBL6002422

SCHEMBL6002422

CN(CC(CCO)c1ccc(C#N)cc1)C(=O)c1cc(C#N)cc2ccccc12.CNCC(CCO)c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.48
TACR1 P25103 5/20 0.48
TACR3 P29371 5/20 0.48
MCHR1 Q99705 3/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HAT1 O14929 7/20 0.33
EP300 Q09472 7/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
F2R P25116 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL4255229 0.94 TACR2 (0.52) TACR2TACR1TACR3MCHR1MEN1
SCHEMBL6002594 0.88 TACR2 (0.48) TACR2TACR1TACR3MEN1ALDH1A1
SCHEMBL7666225 0.87 TACR2 (0.54) TACR2TACR1TACR3MCHR1CA1
SCHEMBL6668994 0.84 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL7668591 0.84 TACR2 (0.51) TACR2TACR1TACR3MCHR1HAT1
SCHEMBL756430 0.84 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL4257657 0.81 TACR2 (0.48) TACR2TACR1TACR3MEN1ALDH1A1
SCHEMBL5013875 0.76 TACR2 (0.56) TACR2TACR1TACR3
SCHEMBL3226464 0.75 TACR2 (0.46) TACR2TACR1TACR3MCHR1L3MBTL1
SCHEMBL4260104 0.75 TACR2 (0.46) TACR2TACR1TACR3MCHR1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed