SCHEMBL6984730

SCHEMBL6984730

C[C@@H](C[CH]C(=O)N(Cc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Br)c1)[C@H]1CCNC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.44
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1F P30939 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
MBTPS1 Q14703 1/20 0.39

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
SCHEMBL6983020 0.92 UTS2R (0.45) UTS2RMBTPS1
SCHEMBL7143855 0.89 SLC6A2 (0.40) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL7140946 0.87 SLC6A2 (0.40) UTS2RCYP2D6
SCHEMBL6984733 0.85 UTS2R (0.46) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6981910 0.79 REN (0.42) UTS2RCYP2D6
SCHEMBL6983023 0.77 UTS2R (0.45) UTS2RMBTPS1
SCHEMBL6594584 0.77 UTS2R (0.62) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6597839 0.73 UTS2R (0.62) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6597270 0.73 UTS2R (0.61) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6598656 0.72 UTS2R (0.38) 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 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