SCHEMBL6002205

SCHEMBL6002205

C=CCC(CN(C)C(=O)c1cc(Br)cc(I)c1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 1/20 0.31
PRCP P42785 1/20 0.30
KCNH2 Q12809 1/20 0.30
TACR2 P21452 1/20 0.30

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
SCHEMBL4256852 1.00 TACR1 (0.33) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL4256188 0.92 TACR1 (0.36) TACR1HDAC6TACR2
SCHEMBL27649466 0.91 TACR1 (0.34) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL4262915 0.91 TACR1 (0.34) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL3766497 0.86 TACR1 (0.48) TACR1HDAC6
SCHEMBL493651 0.86 TACR1 (0.48) TACR1HDAC6
SCHEMBL6002099 0.82 TACR1 (0.37) TACR1HDAC6RAB9ATACR2
SCHEMBL3226841 0.82 TACR1 (0.37) TACR1HDAC6RAB9ATACR2
SCHEMBL4261669 0.81 TACR1 (0.36) TACR1RAB9ATACR2
SCHEMBL4258143 0.80 TACR1 (0.56) TACR1TACR2

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