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SCHEMBL6985983

SCHEMBL6985983

C[C@@H](C[CH]C(=O)N(CCc1ccc(O[C@H]2CCNC2)cc1)[C@H]1CCNC1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.43
▸ F2 P00734 6/20 0.43
▸ MBTPS1 Q14703 7/20 0.42
▸ SLC6A2 P23975 4/20 0.37
▸ SLC6A4 P31645 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.36

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
SCHEMBL6986072 0.82 F10 (0.37) F10F2MBTPS1
SCHEMBL7140946 0.81 SLC6A2 (0.40) F10F2SLC6A2SLC6A4KCNH2
SCHEMBL6985986 0.81 MBTPS1 (0.44) F10F2MBTPS1SLC6A2SLC6A4
SCHEMBL7143855 0.78 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6980413 0.77 HRH3 (0.40) MBTPS1SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL6598734 0.77 F10 (0.36) F10F2SLC6A2SLC6A4KCNH2
SCHEMBL6599020 0.77 F10 (0.36) F10F2SLC6A2SLC6A4KCNH2
SCHEMBL6595376 0.74 UTS2R (0.52) F10F2
SCHEMBL6599636 0.73 F10 (0.36) F10F2
SCHEMBL6600072 0.72 F10 (0.35) F10F2SLC6A2SLC6A4

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