SCHEMBL6984733

SCHEMBL6984733

C[C@@H](CC(N)=O)CC(=O)N(Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Br)c1)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 17/20 0.46
OPRM1 P35372 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1F P30939 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
CYP3A43 Q9HB55 1/20 0.41
MBTPS1 Q14703 1/20 0.40

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
SCHEMBL6983023 0.92 UTS2R (0.45) UTS2ROPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL7143857 0.88 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6979203 0.87 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6984730 0.85 UTS2R (0.44) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6981912 0.78 REN (0.44) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6983020 0.77 UTS2R (0.45) UTS2RSLC6A2SLC6A4MBTPS1
SCHEMBL6985336 0.73 UTS2R (0.43) UTS2RSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6597663 0.72 SLC6A4 (0.42) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7143855 0.72 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6979200 0.72 UTS2R (0.43) UTS2RSLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
EP-1246619-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-09 EP disclosed
WO-2001045700-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO disclosed