SCHEMBL7412663

SCHEMBL7412663

CC(C)C[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H]1CCN(CCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 13/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD4 P21917 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7404676 0.83 UTS2R (0.69) UTS2RDRD4
SCHEMBL7405521 0.78 DRD4 (0.67) UTS2RDRD4
SCHEMBL7404890 0.77 UTS2R (0.76) UTS2R
SCHEMBL7409676 0.77 UTS2R (0.66) UTS2R
SCHEMBL7412603 0.77 UTS2R (0.67) UTS2RRAB9AHTR1ADRD2DRD4
SCHEMBL7409507 0.77 HRH2 (0.55) UTS2RSIGMAR1
SCHEMBL7408373 0.73 UTS2R (0.75) UTS2R
SCHEMBL7412384 0.72 UTS2R (0.64) UTS2RDRD4
SCHEMBL7412018 0.72 UTS2R (0.64) UTS2RDRD4
SCHEMBL7407746 0.72 UTS2R (0.64) UTS2RDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US claimed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP claimed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP claimed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
US-6369077-B1 OSTEOPOROSIS, PERIODONTITIS, AND ARTHRITIS SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed