SCHEMBL6947844

SCHEMBL6947844

O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 20/20 1.00
HTR1A P08908 1/20 0.86
CYP2D6 P10635 1/20 0.86
DRD2 P14416 1/20 0.86
HTR1D P28221 1/20 0.86
HTR2C P28335 1/20 0.86
HTR1F P30939 1/20 0.86
HTR2B P41595 1/20 0.86
HTR6 P50406 1/20 0.86
CYP3A43 Q9HB55 1/20 0.86

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
SCHEMBL6947849 1.00 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6948158 0.95 UTS2R (0.91) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6949869 0.95 UTS2R (0.91) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6944299 0.93 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6944305 0.93 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6950596 0.93 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6946622 0.93 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6949612 0.89 UTS2R (0.94) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6951728 0.89 UTS2R (0.94) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6950604 0.88 UTS2R (1.00) UTS2RHTR1ACYP2D6DRD2HTR1D

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 10 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
US-6544992-B1 Carbonylamino pyrrolidine and piperidine derivatives SMITHKLINE BEECHAM CORPORATION 2003-04-08 US 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