SCHEMBL5326907

SCHEMBL5326907

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

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.61
TACR1 P25103 1/20 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
SCHEMBL5322464 1.00 TACR2 (0.61) TACR2TACR1
SCHEMBL4256227 0.93 TACR2 (0.59) TACR2TACR1
SCHEMBL5815103 0.93 TACR2 (0.59) TACR2TACR1
SCHEMBL5800692 0.93 TACR2 (0.68) TACR2TACR1
SCHEMBL4257606 0.93 TACR2 (0.68) TACR2TACR1
SCHEMBL5442815 0.90 TACR2 (0.49) TACR2TACR1
SCHEMBL5329306 0.90 TACR2 (0.49) TACR2TACR1
SCHEMBL14161851 0.89 TACR2 (0.48) TACR2
SCHEMBL5446106 0.89 TACR2 (0.48) TACR2TACR1
SCHEMBL5798549 0.87 TACR2 (0.51) TACR2TACR1

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-2007136326-A2 ) T E TEXT AS EEN ESTA S E Y T S UT O TY TO REA AS O OWS: 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 3 ASTRAZENECA AB (SE) 2007-11-29 WO claimed