SCHEMBL6985336

SCHEMBL6985336

CC(C)CC(=O)NC(=O)N(Cc1ccc(OC2CCNCC2)c(Br)c1)[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.43
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
KCNH2 Q12809 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
HTR2A P28223 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
SCHEMBL6979200 0.97 UTS2R (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7143857 0.82 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6597663 0.82 SLC6A4 (0.42) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6979203 0.78 SLC6A2 (0.43) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7143855 0.78 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL7140946 0.75 SLC6A2 (0.40) UTS2RSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6984733 0.73 UTS2R (0.46) UTS2RSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5687585 0.71 UTS2R (0.52) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL6984730 0.70 UTS2R (0.44) UTS2RHTR1ACYP2D6DRD2HTR1D
SCHEMBL5687392 0.68 THRA (0.51) 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