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SCHEMBL3973142

SCHEMBL3973142

O=C(N1CCC2(C1)OCc1ccccc12)C1(c2ccc(C3CC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 18/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ AVPR1A P37288 1/20 0.44

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
SCHEMBL349521 0.87 HSD11B1 (0.67) HSD11B1CYP2D6AVPR1A
SCHEMBL3971621 0.83 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL3974893 0.81 HSD11B1 (0.53) HSD11B1CYP2D6AVPR1A
SCHEMBL350194 0.81 HSD11B1 (0.77) HSD11B1CYP2D6
SCHEMBL350258 0.81 HSD11B1 (0.77) HSD11B1CYP2D6
SCHEMBL349381 0.81 HSD11B1 (0.56) HSD11B1CYP2D6AVPR1A
SCHEMBL349382 0.81 HSD11B1 (0.56) HSD11B1CYP2D6AVPR1A
SCHEMBL349448 0.80 HSD11B1 (0.60) HSD11B1CYP2D6AVPR1A
SCHEMBL15963512 0.77 AVPR1A (0.48) AVPR1A
SCHEMBL3231283 0.76 AVPR1A (0.54) AVPR1A

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