SCHEMBL6986072

SCHEMBL6986072

CC(C)C[CH]C(=O)N(CCc1ccc(O[C@H]2CCNC2)cc1)[C@@H]1CNC(C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.37
F2 P00734 6/20 0.37
MBTPS1 Q14703 4/20 0.35
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
HTR2A P28223 2/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL6985983 0.82 F10 (0.43) F10F2MBTPS1
SCHEMBL6985986 0.72 MBTPS1 (0.44) F10F2MBTPS1
SCHEMBL7140946 0.65 SLC6A2 (0.40) F10F2
SCHEMBL6598734 0.62 F10 (0.36) F10F2PLGPRSS1PRSS2
SCHEMBL6599020 0.62 F10 (0.36) F10F2PLGPRSS1PRSS2
SCHEMBL3133910 0.61 PARP10 (0.64) F10F2
SCHEMBL13766409 0.61 HRH1 (0.54) F10F2
SCHEMBL6290015 0.61 HRH1 (0.54) F10F2
SCHEMBL12735781 0.61 HRH1 (0.55) F10F2
SCHEMBL14578145 0.60 HRH1 (0.71) F10F2

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