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Sugi Predict / Compounds / SCHEMBL3909514

SCHEMBL3909514

SCHEMBL3909514

O=C(O)c1ccc(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.79
▸ ALDH1A1 P00352 1/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ GPR55 Q9Y2T6 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
SCHEMBL349468 0.88 HSD11B1 (1.00) HSD11B1CNR1GPR55
SCHEMBL350223 0.86 HSD11B1 (0.77) HSD11B1ALDH1A1
SCHEMBL349472 0.86 HSD11B1 (0.69) HSD11B1ALDH1A1
SCHEMBL3902841 0.86 HSD11B1 (0.76) HSD11B1CNR1GPR55
SCHEMBL348770 0.84 HSD11B1 (0.88) HSD11B1ALDH1A1
SCHEMBL349362 0.84 HSD11B1 (0.86) HSD11B1ALDH1A1
SCHEMBL349025 0.81 HSD11B1 (1.00) HSD11B1
SCHEMBL349249 0.81 HSD11B1 (1.00) HSD11B1
SCHEMBL3902035 0.79 HSD11B1 (0.80) HSD11B1
SCHEMBL350740 0.79 HSD11B1 (0.78) HSD11B1

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-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 — — EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 — — EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 — — WO claimed