SCHEMBL6597367

SCHEMBL6597367

CC(C)C[C@H](NC(=O)Oc1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCN(Cc4ccccc4)CC3)c(Br)c2)C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 20/20 0.72
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1F P30939 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
CYP3A43 Q9HB55 1/20 0.45

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
SCHEMBL6600179 0.93 UTS2R (0.70) UTS2R
SCHEMBL6599225 0.93 UTS2R (0.83) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6599748 0.93 UTS2R (0.62) UTS2R
SCHEMBL6598768 0.90 UTS2R (0.77) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6596228 0.86 UTS2R (0.68) UTS2R
SCHEMBL6594586 0.82 UTS2R (0.65) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6595561 0.79 UTS2R (0.82) UTS2R
SCHEMBL6596760 0.78 UTS2R (0.68) UTS2R
SCHEMBL7404890 0.78 UTS2R (0.76) UTS2R
SCHEMBL7408373 0.76 UTS2R (0.75) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246619-B1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-20 EP claimed