SCHEMBL6002556

SCHEMBL6002556

C=CC[C@H](CN(C)C(=O)c1cc(C#N)cc2c1CCC2OC(=O)c1cc(C#N)cc2c1CCC2)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.33
TACR1 P25103 2/20 0.33
TACR3 P29371 2/20 0.33

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
SCHEMBL4262594 0.89 XDH (0.35) TACR2TACR1TACR3
SCHEMBL6002181 0.87 NSD2 (0.36) TACR2TACR1TACR3
SCHEMBL4261305 0.87 NSD2 (0.36) TACR2TACR1TACR3
SCHEMBL4262995 0.82 XDH (0.35) TACR2TACR1TACR3
SCHEMBL3229984 0.80 NSD2 (0.36) TACR2TACR1TACR3
SCHEMBL6002296 0.80 NSD2 (0.36) TACR2TACR1TACR3
SCHEMBL4261808 0.78 XDH (0.32)
SCHEMBL4261683 0.77 MEN1 (0.33)
SCHEMBL4257621 0.71 TACR2 (0.46) TACR2TACR1TACR3
SCHEMBL4262926 0.71 TACR2 (0.46) TACR2TACR1TACR3

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