SCHEMBL7403794

SCHEMBL7403794

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.55
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CTSK P43235 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
REN P00797 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL7415020 0.94 UTS2R (0.62) UTS2RMAPK1
SCHEMBL7400619 0.94 UTS2R (0.62) UTS2RMAPK1
SCHEMBL7402928 0.94 UTS2R (0.62) UTS2RMAPK1
SCHEMBL3957208 0.90 SCN9A (0.58) MEN1KMT2ACTSKSIGMAR1
SCHEMBL7407107 0.90 UTS2R (0.61) UTS2RMAPK1
SCHEMBL2311994 0.89 MEN1 (0.52) CYP2C19SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL7409507 0.88 HRH2 (0.55) UTS2RMAPK1CTSKSIGMAR1REN
SCHEMBL7408984 0.88 UTS2R (0.65) UTS2R
SCHEMBL7407663 0.87 CTSK (0.67) CTSK
SCHEMBL7404900 0.85 UTS2R (0.56) 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 4 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 disclosed
EP-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP disclosed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP disclosed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed