SCHEMBL6944245

SCHEMBL6944245

CN(C)CCCOc1ccc(CN2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 1.00
MCHR1 Q99705 1/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC6A5 Q9Y345 1/20 0.56
DRD4 P21917 1/20 0.55

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
SCHEMBL6951677 0.95 UTS2R (1.00) UTS2R
SCHEMBL6949942 0.95 UTS2R (1.00) UTS2R
SCHEMBL6949936 0.95 UTS2R (1.00) UTS2R
SCHEMBL6948683 0.83 UTS2R (0.80) UTS2R
SCHEMBL6944246 0.83 UTS2R (0.80) UTS2R
SCHEMBL6950626 0.81 UTS2R (1.00) UTS2R
SCHEMBL6948302 0.81 UTS2R (1.00) UTS2R
SCHEMBL6946573 0.81 UTS2R (1.00) UTS2R
SCHEMBL2072537 0.79 UTS2R (0.65) UTS2RSLC6A5DRD4
SCHEMBL2214839 0.79 UTS2R (0.65) UTS2RMCHR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244452-B1 CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
US-6544992-B1 Carbonylamino pyrrolidine and piperidine derivatives SMITHKLINE BEECHAM CORPORATION 2003-04-08 US claimed
EP-1244452-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1244452-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-02 EP claimed
WO-2001045711-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
EP-1244452-B1 CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1244452-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1244452-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001045711-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed