SCHEMBL5798623

SCHEMBL5798623

CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)c1cc(Br)cc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.59
PRCP P42785 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL4261931 1.00 TACR2 (0.59) TACR2PRCPKCNH2
Hydrochloric Acid SCHEMBL6002305 0.99 TACR2 (0.58) TACR2PRCPKCNH2
Hydrochloric Acid SCHEMBL4263009 0.99 TACR2 (0.58) TACR2PRCPKCNH2
SCHEMBL5312978 0.94 TACR2 (0.63) TACR2PRCPKCNH2
SCHEMBL4260405 0.94 TACR2 (0.63) TACR2PRCPKCNH2
Hydrochloric Acid SCHEMBL4259647 0.93 TACR2 (0.62) TACR2PRCPKCNH2
SCHEMBL5800692 0.86 TACR2 (0.68) TACR2
SCHEMBL4257606 0.86 TACR2 (0.68) TACR2
SCHEMBL4255121 0.84 TACR2 (0.51) TACR2
SCHEMBL5799585 0.84 TACR2 (0.51) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
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