SCHEMBL5028795

SCHEMBL5028795

CN(CC(CCN1CC(N2CCN(C(=O)C3CCCO3)CC2)C1)c1ccc(F)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.43
POLB P06746 1/20 0.36
CCR5 P51681 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TACR1 P25103 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3762128 1.00 TACR2 (0.43) TACR2POLBCCR5LMNAMAPT
SCHEMBL3766385 0.90 TACR2 (0.44) TACR2TACR1
Hydrochloric Acid SCHEMBL3766672 0.89 TACR2 (0.43) TACR2TACR1
SCHEMBL3764734 0.87 TACR2 (0.45) TACR2TACR1
SCHEMBL5028804 0.87 TACR2 (0.45) TACR2TACR1
SCHEMBL493745 0.87 TACR2 (0.43) TACR2TACR1
SCHEMBL3761709 0.87 TACR2 (0.45) TACR2TACR1
SCHEMBL493759 0.86 TACR2 (0.49) TACR2TACR1
SCHEMBL3771236 0.86 TACR2 (0.44) TACR2CCR5TACR1
Hydrochloric Acid SCHEMBL3773045 0.86 TACR2 (0.44) 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-1940845-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA Astra Zeneca AB (SE) 2008-07-09 EP claimed
WO-2007037743-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ASTRAZENECA AB (SE) 2007-04-05 WO claimed