SCHEMBL4415461

SCHEMBL4415461

CN(CC(CCN1CC(N2CCC(C(N)=O)CC2)C1)c1ccc(F)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.44
TACR1 P25103 1/20 0.37

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
SCHEMBL493726 1.00 TACR2 (0.44) TACR2TACR1
Fumaric Acid SCHEMBL493497 0.96 TACR2 (0.43) TACR2TACR1
Maleic Acid SCHEMBL493496 0.96 TACR2 (0.43) TACR2TACR1
SCHEMBL493752 0.93 TACR2 (0.44) TACR2TACR1
SCHEMBL493745 0.91 TACR2 (0.43) TACR2TACR1
SCHEMBL3766385 0.89 TACR2 (0.44) TACR2TACR1
SCHEMBL493759 0.89 TACR2 (0.49) TACR2TACR1
Hydrochloric Acid SCHEMBL3766672 0.88 TACR2 (0.43) TACR2TACR1
SCHEMBL5028804 0.88 TACR2 (0.45) TACR2TACR1
SCHEMBL3764734 0.88 TACR2 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed